(E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C(C#N)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C(\C#N)/C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H31N5O2/c1-18-15-21(19(2)31(18)23-11-7-5-8-12-23)16-22(17-28)26(33)29-25-20(3)30(4)32(27(25)34)24-13-9-6-10-14-24/h6,9-10,13-16,23H,5,7-8,11-12H2,1-4H3,(H,29,33)/b22-16+