[5,7-bis(bromanyl)quinolin-8-yl] 4-(3,5-diphenylpyrazol-1-yl)benzoate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 4-(3,5-diphenylpyrazol-1-yl)benzoate Openeye Name: (5,7-dibromo-8-quinolyl) 4-(3,5-diphenylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-diphenyl-1-pyrazolyl)benzoic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 4-(3,5-diphenylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-diphenylpyrazol-1-yl)benzoic acid (5,7-dibromo-8-quinolyl) ester Formula: C31H19Br2N3O2 MolecularWeight: 625.30946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)OC4=C(C=C(C5=C4N=CC=C5)Br)Br)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)OC4=C(C=C(C5=C4N=CC=C5)Br)Br)C6=CC=CC=C6

InChI

InChI=1S/C31H19Br2N3O2/c32-25-18-26(33)30(29-24(25)12-7-17-34-29)38-31(37)22-13-15-23(16-14-22)36-28(21-10-5-2-6-11-21)19-27(35-36)20-8-3-1-4-9-20/h1-19H