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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3/c1-3-23-20(26)14(2)28-21(27)18-13-25(17-7-5-4-6-8-17)24-19(18)15-9-11-16(22)12-10-15/h4-14H,3H2,1-2H3,(H,23,26)/t14-/m0/s1