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

Systemtic Name: ethyl (4S,5S)-4-(4-bromophenyl)-5-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: ethyl (4S,5S)-5-benzoyl-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: (4S,5S)-5-benzoyl-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-5-benzoyl-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: (4S,5S)-5-benzoyl-4-(4-bromophenyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H17BrN2O3 MolecularWeight: 401.25388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O3/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/h3-11,15-16,21H,2H2,1H3/t15-,16-/m0/s1