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

Systemtic Name: ethyl 5-(4-bromophenyl)-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-(4-bromophenyl)-1-[4-[(3,3-diphenylpropylamino)-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-(4-bromophenyl)-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C34H30BrN3O3 MolecularWeight: 608.5243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(=O)NCCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(=O)NCCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H30BrN3O3/c1-2-41-34(40)31-23-32(26-13-17-28(35)18-14-26)38(37-31)29-19-15-27(16-20-29)33(39)36-22-21-30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20,23,30H,2,21-22H2,1H3,(H,36,39)