ethyl (4S,5S)-5-(4-chlorophenyl)carbonyl-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl (4S,5S)-5-(4-chlorophenyl)carbonyl-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: ethyl (4S,5S)-5-(4-chlorobenzoyl)-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: (4S,5S)-5-[(4-chlorophenyl)-oxomethyl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-5-(4-chlorobenzoyl)-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: (4S,5S)-5-(4-chlorobenzoyl)-4-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=NN[C@@H]([C@@H]1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN2O3/c1-2-25-19(24)17-15(12-6-4-3-5-7-12)16(21-22-17)18(23)13-8-10-14(20)11-9-13/h3-11,15-16,21H,2H2,1H3/t15-,16-/m0/s1