[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C23H23N3O3/c1-15-8-12-18(13-9-15)24-22(27)16(2)29-23(28)21-14-20(17-10-11-17)25-26(21)19-6-4-3-5-7-19/h3-9,12-14,16-17H,10-11H2,1-2H3,(H,24,27)/t16-/m0/s1