(E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-cyano-N-(2,6-dimethylphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-N-(2,6-dimethylphenyl)acrylamide Formula: C24H27N3O MolecularWeight: 373.49068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC=C(C=C2)N3CCCCCC3)/C#N

InChI

InChI=1S/C24H27N3O/c1-18-8-7-9-19(2)23(18)26-24(28)21(17-25)16-20-10-12-22(13-11-20)27-14-5-3-4-6-15-27/h7-13,16H,3-6,14-15H2,1-2H3,(H,26,28)/b21-16+