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

Systemtic Name: ethyl (4S,5R)-4-phenyl-3-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-5-carboxylate Openeye Name: ethyl (4S,5R)-3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate CAS Name: (4S,5R)-3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate Traditional Name: (3R,4S)-5-benzoyl-4-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3/c1-2-24-19(23)17-15(13-9-5-3-6-10-13)16(20-21-17)18(22)14-11-7-4-8-12-14/h3-12,15,17,21H,2H2,1H3/t15-,17-/m1/s1