[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C33H29N3O3 MolecularWeight: 515.60166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29N3O3/c1-25-17-19-28(20-18-25)32-30(23-36(34-32)29-15-9-4-10-16-29)33(38)39-24-31(37)35(21-26-11-5-2-6-12-26)22-27-13-7-3-8-14-27/h2-20,23H,21-22,24H2,1H3