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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-11,17,22-23H,3H2,1-2H3/t17-/m0/s1