[3-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbenzoate

Systemtic Name: [3-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbenzoate Openeye Name: [3-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-3-oxo-prop-1-enyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxoprop-1-enyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-[(E)-2-cyano-3-keto-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]prop-1-enyl]phenyl] ester Formula: C29H24N4O4 MolecularWeight: 492.52526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C29H24N4O4/c1-19-9-7-11-22(15-19)29(36)37-25-14-8-10-21(17-25)16-23(18-30)27(34)31-26-20(2)32(3)33(28(26)35)24-12-5-4-6-13-24/h4-17H,1-3H3,(H,31,34)/b23-16+