6-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxamide

Systemtic Name: 6-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxamide Openeye Name: 6-amino-N-[(2,4-difluorophenyl)methyl]-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxamide CAS Name: 6-amino-N-[(2,4-difluorophenyl)methyl]-1-methyl-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxamide IUPAC Name: 6-amino-N-[(2,4-difluorophenyl)methyl]-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxamide Traditional Name: 6-amino-N-(2,4-difluorobenzyl)-4-keto-1-methyl-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxamide Formula: C27H26F2N6O2 MolecularWeight: 504.531146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)N)C(=O)NCC5=C(C=C(C=C5)F)F

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)N)C(=O)NCC5=C(C=C(C=C5)F)F

InChI

InChI=1S/C27H26F2N6O2/c1-33-16-20(27(37)32-15-17-5-6-18(28)12-21(17)29)26(36)19-13-22(30)24(14-23(19)33)34-8-10-35(11-9-34)25-4-2-3-7-31-25/h2-7,12-14,16H,8-11,15,30H2,1H3,(H,32,37)