ethyl 5-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-4,5-dihydroisoxazole-3-carboxylate CAS Name: 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-2-isoxazoline-3-carboxylic acid ethyl ester Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(C1)CC2CCCCC(=N2)N

Isomeric SMILES

CCOC(=O)C1=NOC(C1)CC2CCCCC(=N2)N

InChI

InChI=1S/C13H21N3O3/c1-2-18-13(17)11-8-10(19-16-11)7-9-5-3-4-6-12(14)15-9/h9-10H,2-8H2,1H3,(H2,14,15)