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

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: (5,7-dibromo-8-quinolyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid (5,7-dibromo-8-quinolyl) ester Formula: C21H15Br2N3O2 MolecularWeight: 501.1707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br)C

InChI

InChI=1S/C21H15Br2N3O2/c1-12-10-13(2)26(25-12)15-7-5-14(6-8-15)21(27)28-20-18(23)11-17(22)16-4-3-9-24-19(16)20/h3-11H,1-2H3