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

Systemtic Name: ethyl (4S,5R)-5-(4-chlorophenyl)carbonyl-4-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: ethyl (4S,5R)-5-(4-chlorobenzoyl)-4-(p-tolyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: (4S,5R)-5-[(4-chlorophenyl)-oxomethyl]-4-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-5-(4-chlorobenzoyl)-4-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: (4S,5R)-5-(4-chlorobenzoyl)-4-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O3/c1-3-26-20(25)18-16(13-6-4-12(2)5-7-13)17(22-23-18)19(24)14-8-10-15(21)11-9-14/h4-11,16-17,22H,3H2,1-2H3/t16-,17+/m0/s1