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

Systemtic Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-[4-(1-pyrrolidinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(4-pyrrolidinophenyl)acrylamide Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O/c1-16-11-17(2)13-20(12-16)24-22(26)19(15-23)14-18-5-7-21(8-6-18)25-9-3-4-10-25/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,24,26)/b19-14+