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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H28N2O4/c1-29-21-13-7-18(17-22(21)30-2)8-14-23(27)25-20-11-9-19(10-12-20)24(28)26-15-5-3-4-6-16-26/h7-14,17H,3-6,15-16H2,1-2H3,(H,25,27)/b14-8+