N-(1-methylpiperidin-4-yl)-4-nitro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide

Systemtic Name: N-(1-methylpiperidin-4-yl)-4-nitro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide Openeye Name: N-(1-methyl-4-piperidyl)-4-nitro-2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzamide CAS Name: N-(1-methyl-4-piperidinyl)-4-nitro-2-[[8-(trifluoromethyl)-4-quinolinyl]amino]benzamide IUPAC Name: N-(1-methylpiperidin-4-yl)-4-nitro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide Traditional Name: N-(1-methyl-4-piperidyl)-4-nitro-2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzamide Formula: C23H22F3N5O3 MolecularWeight: 473.44769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])NC3=C4C=CC=C(C4=NC=C3)C(F)(F)F

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])NC3=C4C=CC=C(C4=NC=C3)C(F)(F)F

InChI

InChI=1S/C23H22F3N5O3/c1-30-11-8-14(9-12-30)28-22(32)17-6-5-15(31(33)34)13-20(17)29-19-7-10-27-21-16(19)3-2-4-18(21)23(24,25)26/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,27,29)(H,28,32)