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

Systemtic Name: 2-(3-azido-5-cyclohexa-2,4-dien-1-yl-2-oxidanylidene-azepan-1-yl)-N-methyl-3-phenyl-propanamide Openeye Name: 2-(3-azido-5-cyclohexa-2,4-dien-1-yl-2-oxo-azepan-1-yl)-N-methyl-3-phenyl-propanamide CAS Name: 2-[3-azido-5-(1-cyclohexa-2,4-dienyl)-2-oxo-1-azepanyl]-N-methyl-3-phenylpropanamide IUPAC Name: 2-(3-azido-5-cyclohexa-2,4-dien-1-yl-2-oxoazepan-1-yl)-N-methyl-3-phenylpropanamide Traditional Name: 2-(3-azido-5-cyclohexa-2,4-dien-1-yl-2-keto-azepan-1-yl)-N-methyl-3-phenyl-propionamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)N2CCC(CC(C2=O)N=[N+]=[N-])C3CC=CC=C3

Isomeric SMILES

CNC(=O)C(CC1=CC=CC=C1)N2CCC(CC(C2=O)N=[N+]=[N-])C3CC=CC=C3

InChI

InChI=1S/C22H27N5O2/c1-24-21(28)20(14-16-8-4-2-5-9-16)27-13-12-18(17-10-6-3-7-11-17)15-19(22(27)29)25-26-23/h2-10,17-20H,11-15H2,1H3,(H,24,28)