1-[3-(6-bromanyl-2-chloranyl-quinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[3-(6-bromanyl-2-chloranyl-quinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-(6-bromo-2-chloro-3-quinolyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(6-bromo-2-chloro-3-quinolinyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-(6-bromo-2-chloroquinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-(6-bromo-2-chloro-3-quinolyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C21H17BrClN3O2 MolecularWeight: 458.73558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrClN3O2/c1-12(27)26-20(11-19(25-26)13-3-6-16(28-2)7-4-13)17-10-14-9-15(22)5-8-18(14)24-21(17)23/h3-10,20H,11H2,1-2H3