methyl (3R,4R)-3-benzamido-5-(4-methylphenyl)-2,4-diphenyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl (3R,4R)-3-benzamido-5-(4-methylphenyl)-2,4-diphenyl-4H-pyrazole-3-carboxylate Openeye Name: methyl (3R,4R)-3-benzamido-2,4-diphenyl-5-(p-tolyl)-4H-pyrazole-3-carboxylate CAS Name: (3R,4R)-3-benzamido-5-(4-methylphenyl)-2,4-diphenyl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-3-benzamido-5-(4-methylphenyl)-2,4-diphenyl-4H-pyrazole-3-carboxylate Traditional Name: (3R,4R)-3-benzamido-2,4-diphenyl-5-(p-tolyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C31H27N3O3 MolecularWeight: 489.56438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2C3=CC=CC=C3)(C(=O)OC)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@]([C@@H]2C3=CC=CC=C3)(C(=O)OC)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27N3O3/c1-22-18-20-24(21-19-22)28-27(23-12-6-3-7-13-23)31(30(36)37-2,32-29(35)25-14-8-4-9-15-25)34(33-28)26-16-10-5-11-17-26/h3-21,27H,1-2H3,(H,32,35)/t27-,31-/m1/s1