4-[[(E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]amino]benzamide

Systemtic Name: 4-[[(E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]amino]benzamide Openeye Name: 4-[[(E)-2-cyano-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]prop-2-enoyl]amino]benzamide CAS Name: 4-[[(E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 4-[[(E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]amino]benzamide Traditional Name: 4-[[(E)-2-cyano-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]acryloyl]amino]benzamide Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)N)C

InChI

InChI=1S/C24H22N4O2/c1-15-4-10-22(11-5-15)28-16(2)12-19(17(28)3)13-20(14-25)24(30)27-21-8-6-18(7-9-21)23(26)29/h4-13H,1-3H3,(H2,26,29)(H,27,30)/b20-13+