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

Systemtic Name: 4-[[(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoyl]amino]benzamide Openeye Name: 4-[[(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoyl]amino]benzamide CAS Name: 4-[[(E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 4-[[(E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoyl]amino]benzamide Traditional Name: 4-[[(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acryloyl]amino]benzamide Formula: C21H24N4O2 MolecularWeight: 364.44086

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-4-5-10-25-14(2)11-17(15(25)3)12-18(13-22)21(27)24-19-8-6-16(7-9-19)20(23)26/h6-9,11-12H,4-5,10H2,1-3H3,(H2,23,26)(H,24,27)/b18-12+