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

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-cyano-N-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(3,4-dimethoxyphenyl)acrylamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)N3CCCCCC3)/C#N)OC

InChI

InChI=1S/C24H27N3O3/c1-29-22-12-9-20(16-23(22)30-2)26-24(28)19(17-25)15-18-7-10-21(11-8-18)27-13-5-3-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,26,28)/b19-15+