N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]-3-(trifluoromethyl)benzamide Formula: C26H23F3N6O MolecularWeight: 492.49563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H23F3N6O/c1-17-14-23(34-10-12-35(13-11-34)25-30-8-3-9-31-25)33-22-7-6-20(16-21(17)22)32-24(36)18-4-2-5-19(15-18)26(27,28)29/h2-9,14-16H,10-13H2,1H3,(H,32,36)