ethyl 5-(4-chlorophenyl)-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-[4-[(1,2-diphenylethylamino)-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C33H28ClN3O3 MolecularWeight: 550.04672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H28ClN3O3/c1-2-40-33(39)30-22-31(25-13-17-27(34)18-14-25)37(36-30)28-19-15-26(16-20-28)32(38)35-29(24-11-7-4-8-12-24)21-23-9-5-3-6-10-23/h3-20,22,29H,2,21H2,1H3,(H,35,38)