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

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

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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)NCCC(C3=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)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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