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3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine

Systemtic Name:	3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
Openeye Name:	3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
CAS Name:	3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
IUPAC Name:	3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
Traditional Name:	3,4,4a,9-tetrahydro-2H-pyrid[2,3-b]azepine
Formula:	C₉H₁₂N₂
MolecularWeight:	148.20498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CC=CNC2=NC1

Isomeric SMILES

C1CC2C=CC=CNC2=NC1

InChI

InChI=1S/C9H12N2/c1-2-6-10-9-8(4-1)5-3-7-11-9/h1-2,4,6,8H,3,5,7H2,(H,10,11)

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(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]pentan
(3S)-3-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(6-diazenylpyridin-3-yl)carbonylamino]-3-sulfanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[[(2R)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]amino]-3-sulfanyl-propan-2-yl]amino]butanoic acid
(4R,13S,16S,19S,25S,31S,34S,40S,43S,46S,52R)-52-azanyl-25,31,46-tris(4-azanylbutyl)-19-(2-carboxyethyl)-13,34-bis(1-hydroxyethyl)-40-(hydroxymethyl)-16,43-dimethyl-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecakis(oxidanylidene)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carboxylic acid
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]ethanoylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-N-[(2S)-6-azanyl-1-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-(tridecylamino)butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]pentanediamide
(4R,13S,16S,19S,25S,31S,34S,37S,40S,43S,46S,52R)-52-azanyl-25,31,46-tris(4-azanylbutyl)-19-(2-carboxyethyl)-40-(hydroxymethyl)-16,37,43-trimethyl-13,34-bis[(1R)-1-oxidanylethyl]-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecakis(oxidanylidene)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carboxylic acid
methyl (2S,3S)-2-[2-[[(2S)-2-[[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-2-(decanoylamino)pentanoyl]amino]-3-methyl-butanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-8-[[azanyl-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-4-oxidanylidene-octanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-3-methyl-pentanoate
(2S)-6-azanyl-2-[[(2S)-1-[2-[[(2S)-5-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[2-[[(2S,4R)-1-[(2S)-2-(2-azanylethanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]hexanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoyl]pyrrol
(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propan
(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)m
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