(E)-N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[2-(azepane-1-carbonyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[2-[1-azepanyl(oxo)methyl]phenyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[2-(azepane-1-carbonyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(azepane-1-carbonyl)phenyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C24H28N2O4 MolecularWeight: 408.49012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H28N2O4/c1-29-21-13-11-18(17-22(21)30-2)12-14-23(27)25-20-10-6-5-9-19(20)24(28)26-15-7-3-4-8-16-26/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,25,27)/b14-12+