(Z)-2-acetamido-N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(2-methylphenyl)prop-2-enamide

Systemtic Name: (Z)-2-acetamido-N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(2-methylphenyl)prop-2-enamide Openeye Name: (Z)-2-acetamido-N-[2-(azepane-1-carbonyl)phenyl]-3-(o-tolyl)prop-2-enamide CAS Name: (Z)-2-acetamido-N-[2-[1-azepanyl(oxo)methyl]phenyl]-3-(2-methylphenyl)-2-propenamide IUPAC Name: (Z)-2-acetamido-N-[2-(azepane-1-carbonyl)phenyl]-3-(2-methylphenyl)prop-2-enamide Traditional Name: (Z)-2-acetamido-N-[2-(azepane-1-carbonyl)phenyl]-3-(o-tolyl)acrylamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1/C=C(/C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)\NC(=O)C

InChI

InChI=1S/C25H29N3O3/c1-18-11-5-6-12-20(18)17-23(26-19(2)29)24(30)27-22-14-8-7-13-21(22)25(31)28-15-9-3-4-10-16-28/h5-8,11-14,17H,3-4,9-10,15-16H2,1-2H3,(H,26,29)(H,27,30)/b23-17-