6-(4-fluorophenyl)-N-[[3-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 6-(4-fluorophenyl)-N-[[3-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl]methyl]pyridine-3-carboxamide Openeye Name: 6-(4-fluorophenyl)-N-[[3-[(4-methylpiperazin-1-yl)methyl]-8-quinolyl]methyl]pyridine-3-carboxamide CAS Name: 6-(4-fluorophenyl)-N-[[3-[(4-methyl-1-piperazinyl)methyl]-8-quinolinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-fluorophenyl)-N-[[3-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl]methyl]pyridine-3-carboxamide Traditional Name: 6-(4-fluorophenyl)-N-[[3-[(4-methylpiperazino)methyl]-8-quinolyl]methyl]nicotinamide Formula: C28H28FN5O MolecularWeight: 469.553223

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN=C3C(=C2)C=CC=C3CNC(=O)C4=CN=C(C=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1CCN(CC1)CC2=CN=C3C(=C2)C=CC=C3CNC(=O)C4=CN=C(C=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H28FN5O/c1-33-11-13-34(14-12-33)19-20-15-22-3-2-4-23(27(22)31-16-20)17-32-28(35)24-7-10-26(30-18-24)21-5-8-25(29)9-6-21/h2-10,15-16,18H,11-14,17,19H2,1H3,(H,32,35)