[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl] ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4O3/c1-17-7-6-10-22(18(17)2)27-11-13-28(14-12-27)23(29)16-31-24(30)21-15-20(25-26-21)19-8-4-3-5-9-19/h3-10,15H,11-14,16H2,1-2H3,(H,25,26)