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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-4-23-21(26)16(3)28-22(27)19-14-25(18-8-6-5-7-9-18)24-20(19)17-12-10-15(2)11-13-17/h5-14,16H,4H2,1-3H3,(H,23,26)/t16-/m0/s1