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

Systemtic Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-N-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(4-methoxyphenyl)acrylamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-5-6-11-24-15(2)12-17(16(24)3)13-18(14-22)21(25)23-19-7-9-20(26-4)10-8-19/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,25)/b18-13+