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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C21H24N4O2/c1-13(2)12-25-14(3)9-17(15(25)4)10-18(11-22)21(27)24-19-7-5-16(6-8-19)20(23)26/h5-10,13H,12H2,1-4H3,(H2,23,26)(H,24,27)/b18-10+