[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC(C3=CC=CC=C3)C(=O)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC(C3=CC=CC=C3)C(=O)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c1-19-14-16-20(17-15-19)24-23(18-30(28-24)22-12-8-5-9-13-22)27(32)33-25(26(31)29(2)3)21-10-6-4-7-11-21/h4-18,25H,1-3H3