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

Systemtic Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-[(2-methoxyphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-[(2-methoxyphenyl)methyl]prop-2-enamide CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-N-[(2-methoxyphenyl)methyl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyano-N-[(2-methoxyphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-o-anisyl-acrylamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)NCC2=CC=CC=C2OC)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2OC)C

InChI

InChI=1S/C22H27N3O2/c1-5-6-11-25-16(2)12-19(17(25)3)13-20(14-23)22(26)24-15-18-9-7-8-10-21(18)27-4/h7-10,12-13H,5-6,11,15H2,1-4H3,(H,24,26)/b20-13+