1-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[5-(4-methylpiperazin-1-yl)-3-quinolyl]-3-[4-(4-pyridyl)-3-(trifluoromethyl)phenyl]urea CAS Name: 1-[5-(4-methyl-1-piperazinyl)-3-quinolinyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[5-(4-methylpiperazino)-3-quinolyl]-3-[4-(4-pyridyl)-3-(trifluoromethyl)phenyl]urea Formula: C27H25F3N6O MolecularWeight: 506.52221

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC3=NC=C(C=C32)NC(=O)NC4=CC(=C(C=C4)C5=CC=NC=C5)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC3=NC=C(C=C32)NC(=O)NC4=CC(=C(C=C4)C5=CC=NC=C5)C(F)(F)F

InChI

InChI=1S/C27H25F3N6O/c1-35-11-13-36(14-12-35)25-4-2-3-24-22(25)15-20(17-32-24)34-26(37)33-19-5-6-21(18-7-9-31-10-8-18)23(16-19)27(28,29)30/h2-10,15-17H,11-14H2,1H3,(H2,33,34,37)