2-(3-azanyl-5-cyclohexa-2,4-dien-1-yl-2-oxidanylidene-azepan-1-yl)-N-ethyl-3-phenyl-propanamide

Systemtic Name: 2-(3-azanyl-5-cyclohexa-2,4-dien-1-yl-2-oxidanylidene-azepan-1-yl)-N-ethyl-3-phenyl-propanamide Openeye Name: 2-(3-amino-5-cyclohexa-2,4-dien-1-yl-2-oxo-azepan-1-yl)-N-ethyl-3-phenyl-propanamide CAS Name: 2-[3-amino-5-(1-cyclohexa-2,4-dienyl)-2-oxo-1-azepanyl]-N-ethyl-3-phenylpropanamide IUPAC Name: 2-(3-amino-5-cyclohexa-2,4-dien-1-yl-2-oxoazepan-1-yl)-N-ethyl-3-phenylpropanamide Traditional Name: 2-(3-amino-5-cyclohexa-2,4-dien-1-yl-2-keto-azepan-1-yl)-N-ethyl-3-phenyl-propionamide Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(CC1=CC=CC=C1)N2CCC(CC(C2=O)N)C3CC=CC=C3

Isomeric SMILES

CCNC(=O)C(CC1=CC=CC=C1)N2CCC(CC(C2=O)N)C3CC=CC=C3

InChI

InChI=1S/C23H31N3O2/c1-2-25-22(27)21(15-17-9-5-3-6-10-17)26-14-13-19(16-20(24)23(26)28)18-11-7-4-8-12-18/h3-11,18-21H,2,12-16,24H2,1H3,(H,25,27)