ethyl (3S)-3-(4-bromophenyl)carbonyl-4-phenyl-2,3-dihydro-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl (3S)-3-(4-bromophenyl)carbonyl-4-phenyl-2,3-dihydro-1H-pyrazole-5-carboxylate Openeye Name: ethyl (3S)-3-(4-bromobenzoyl)-4-phenyl-2,3-dihydro-1H-pyrazole-5-carboxylate CAS Name: (3S)-3-[(4-bromophenyl)-oxomethyl]-4-phenyl-2,3-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(4-bromobenzoyl)-4-phenyl-2,3-dihydro-1H-pyrazole-5-carboxylate Traditional Name: (5S)-5-(4-bromobenzoyl)-4-phenyl-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(NN1)C(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([C@H](NN1)C(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H17BrN2O3/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/h3-11,16,21-22H,2H2,1H3/t16-/m0/s1