(E)-2-cyano-N-(3,5-dimethylphenyl)-3-(3-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(3-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(3-methyl-4-pyrrolidin-1-yl-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(3-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(3-methyl-4-pyrrolidino-phenyl)acrylamide Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)C)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)N3CCCC3)C)/C#N)C

InChI

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