(E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-[4-(1-piperidyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-[4-(1-piperidinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-piperidinophenyl)acrylamide Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)N3CCCCC3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)N3CCCCC3)/C#N)C

InChI

InChI=1S/C23H25N3O/c1-17-7-6-8-22(18(17)2)25-23(27)20(16-24)15-19-9-11-21(12-10-19)26-13-4-3-5-14-26/h6-12,15H,3-5,13-14H2,1-2H3,(H,25,27)/b20-15+