[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-19(23(29)27-14-12-26(13-15-27)22-10-6-3-7-11-22)31-24(30)21-16-25-28(18-21)17-20-8-4-2-5-9-20/h2-11,16,18-19H,12-15,17H2,1H3