[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-17(31-24(30)22-16-21(26-27-22)18-8-4-2-5-9-18)23(29)25-19-10-12-20(13-11-19)28-14-6-3-7-15-28/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3,(H,25,29)(H,26,27)/t17-/m0/s1