4-methyl-N-[3-oxidanylidene-1-[2-(3-pyridin-2-ylphenyl)ethanoyl]azepan-4-yl]pentanamide

Systemtic Name: 4-methyl-N-[3-oxidanylidene-1-[2-(3-pyridin-2-ylphenyl)ethanoyl]azepan-4-yl]pentanamide Openeye Name: 4-methyl-N-[3-oxo-1-[2-[3-(2-pyridyl)phenyl]acetyl]azepan-4-yl]pentanamide CAS Name: 4-methyl-N-[3-oxo-1-[1-oxo-2-[3-(2-pyridinyl)phenyl]ethyl]-4-azepanyl]pentanamide IUPAC Name: 4-methyl-N-[3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]pentanamide Traditional Name: N-[3-keto-1-[2-[3-(2-pyridyl)phenyl]acetyl]azepan-4-yl]-4-methyl-valeramide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC1CCCN(CC1=O)C(=O)CC2=CC=CC(=C2)C3=CC=CC=N3

Isomeric SMILES

CC(C)CCC(=O)NC1CCCN(CC1=O)C(=O)CC2=CC=CC(=C2)C3=CC=CC=N3

InChI

InChI=1S/C25H31N3O3/c1-18(2)11-12-24(30)27-22-10-6-14-28(17-23(22)29)25(31)16-19-7-5-8-20(15-19)21-9-3-4-13-26-21/h3-5,7-9,13,15,18,22H,6,10-12,14,16-17H2,1-2H3,(H,27,30)