1-[5-(4-bromophenyl)-3-(2-chloranyl-7-methoxy-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[5-(4-bromophenyl)-3-(2-chloranyl-7-methoxy-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[5-(4-bromophenyl)-3-(2-chloro-7-methoxy-3-quinolyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[5-(4-bromophenyl)-3-(2-chloro-7-methoxy-3-quinolinyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[5-(4-bromophenyl)-3-(2-chloro-7-methoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[3-(4-bromophenyl)-5-(2-chloro-7-methoxy-3-quinolyl)-2-pyrazolin-1-yl]propan-1-one Formula: C22H19BrClN3O2 MolecularWeight: 472.76216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=C(N=C4C=C(C=CC4=C3)OC)Cl

Isomeric SMILES

CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=C(N=C4C=C(C=CC4=C3)OC)Cl

InChI

InChI=1S/C22H19BrClN3O2/c1-3-21(28)27-20(12-19(26-27)13-4-7-15(23)8-5-13)17-10-14-6-9-16(29-2)11-18(14)25-22(17)24/h4-11,20H,3,12H2,1-2H3