[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C33H29N3O4 MolecularWeight: 531.60106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C33H29N3O4/c1-22-14-15-23(2)29(20-22)34-32(37)31(25-10-6-4-7-11-25)40-33(38)28-21-36(26-12-8-5-9-13-26)35-30(28)24-16-18-27(39-3)19-17-24/h4-21,31H,1-3H3,(H,34,37)