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

Systemtic Name: methyl (4S,5R)-4-phenyl-3-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-5-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3/c1-23-18(22)16-14(12-8-4-2-5-9-12)15(19-20-16)17(21)13-10-6-3-7-11-13/h2-11,14,16,20H,1H3/t14-,16-/m1/s1