(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(4-ethanoylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(4-ethanoylphenyl)prop-2-enamide Openeye Name: (E)-N-(4-acetylphenyl)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(4-acetylphenyl)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(4-acetylphenyl)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(4-acetylphenyl)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)C)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)C)C

InChI

InChI=1S/C22H25N3O2/c1-5-6-11-25-15(2)12-19(16(25)3)13-20(14-23)22(27)24-21-9-7-18(8-10-21)17(4)26/h7-10,12-13H,5-6,11H2,1-4H3,(H,24,27)/b20-13+