N-[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-(2-ethylhexyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-(2-ethylhexyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-2-(2-ethylhexyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(2-ethylhexyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(2-ethylhexyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-2-(2-ethylhexyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H35N5O2 MolecularWeight: 425.567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CC2=CC=CC=C2CC1C(=O)NC(CC3=CN=CN3)C(=O)N

Isomeric SMILES

CCCCC(CC)CN1CC2=CC=CC=C2CC1C(=O)NC(CC3=CN=CN3)C(=O)N

InChI

InChI=1S/C24H35N5O2/c1-3-5-8-17(4-2)14-29-15-19-10-7-6-9-18(19)11-22(29)24(31)28-21(23(25)30)12-20-13-26-16-27-20/h6-7,9-10,13,16-17,21-22H,3-5,8,11-12,14-15H2,1-2H3,(H2,25,30)(H,26,27)(H,28,31)