ethyl 5-(4-bromophenyl)-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-1-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]phenyl]pyrazole-3-carboxylate CAS Name: 5-(4-bromophenyl)-1-[4-[oxo-(4-phenylbutan-2-ylamino)methyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-(4-bromophenyl)-1-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C29H28BrN3O3 MolecularWeight: 546.45492

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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)NC(C)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(=O)NC(C)CCC4=CC=CC=C4

InChI

InChI=1S/C29H28BrN3O3/c1-3-36-29(35)26-19-27(22-11-15-24(30)16-12-22)33(32-26)25-17-13-23(14-18-25)28(34)31-20(2)9-10-21-7-5-4-6-8-21/h4-8,11-20H,3,9-10H2,1-2H3,(H,31,34)