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

Systemtic Name: ethyl 5-tert-butyl-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-tert-butyl-1-[4-[(1,2-diphenylethylamino)-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(C)(C)C)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(C)(C)C)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H33N3O3/c1-5-37-30(36)27-21-28(31(2,3)4)34(33-27)25-18-16-24(17-19-25)29(35)32-26(23-14-10-7-11-15-23)20-22-12-8-6-9-13-22/h6-19,21,26H,5,20H2,1-4H3,(H,32,35)