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

Systemtic Name: 4-[[(E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzamide Openeye Name: 4-[[(E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzamide CAS Name: 4-[[(E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 4-[[(E)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]amino]benzamide Traditional Name: 4-[[(E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]amino]benzamide Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C23H26N4O2/c1-15-12-18(16(2)27(15)21-6-4-3-5-7-21)13-19(14-24)23(29)26-20-10-8-17(9-11-20)22(25)28/h8-13,21H,3-7H2,1-2H3,(H2,25,28)(H,26,29)/b19-13+