ethyl (4S,5R)-4-(4-chlorophenyl)-3-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-(4-chlorophenyl)-3-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-5-carboxylate Openeye Name: ethyl (4S,5R)-3-benzoyl-4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate CAS Name: (4S,5R)-3-benzoyl-4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-3-benzoyl-4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate Traditional Name: (3R,4S)-5-benzoyl-4-(4-chlorophenyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN2O3/c1-2-25-19(24)17-15(12-8-10-14(20)11-9-12)16(21-22-17)18(23)13-6-4-3-5-7-13/h3-11,15,17,22H,2H2,1H3/t15-,17-/m1/s1