[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-4-17(3)24-21(27)15-29-23(28)20-14-26(19-8-6-5-7-9-19)25-22(20)18-12-10-16(2)11-13-18/h5-14,17H,4,15H2,1-3H3,(H,24,27)/t17-/m0/s1