2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]ethanamide

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]acetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]acetamide Formula: C22H24BrF3N6O MolecularWeight: 525.36477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C)N4CCN(CC4)C

InChI

InChI=1S/C22H24BrF3N6O/c1-13-10-18(31-8-6-30(3)7-9-31)28-17-5-4-15(11-16(13)17)27-19(33)12-32-14(2)20(23)21(29-32)22(24,25)26/h4-5,10-11H,6-9,12H2,1-3H3,(H,27,33)