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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)OC)C)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC=C(C=C2)OC)C)/C#N

InChI

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