methyl (3R,4S)-3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate

Systemtic Name: methyl (3R,4S)-3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate Openeye Name: methyl (3R,4S)-3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate CAS Name: (3R,4S)-3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-3-(4-chlorophenyl)-2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate Traditional Name: (4S,5R)-5-(4-chlorophenyl)-1,3-diphenyl-2-pyrazoline-4-carboxylic acid methyl ester Formula: C23H19ClN2O2 MolecularWeight: 390.86216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)[C@H]1[C@@H](N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN2O2/c1-28-23(27)20-21(16-8-4-2-5-9-16)25-26(19-10-6-3-7-11-19)22(20)17-12-14-18(24)15-13-17/h2-15,20,22H,1H3/t20-,22+/m1/s1