[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)O[C@@H](C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-18-12-13-25-28(18)22-10-8-20(9-11-22)24(30)31-19(2)23(29)27-16-14-26(15-17-27)21-6-4-3-5-7-21/h3-13,19H,14-17H2,1-2H3/t19-/m0/s1