[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-phenyl-3-pyrazolecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 5-(4-chlorophenyl)-2-phenylpyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-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=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

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