ethyl 5-butan-2-yl-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butan-2-yl-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]-5-sec-butyl-pyrazole-3-carboxylate CAS Name: 5-butan-2-yl-1-[4-[(3,3-diphenylpropylamino)-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butan-2-yl-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]-5-sec-butyl-pyrazole-3-carboxylic acid ethyl ester Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=NN1C2=CC=C(C=C2)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC(=NN1C2=CC=C(C=C2)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C32H35N3O3/c1-4-23(3)30-22-29(32(37)38-5-2)34-35(30)27-18-16-26(17-19-27)31(36)33-21-20-28(24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,22-23,28H,4-5,20-21H2,1-3H3,(H,33,36)