N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl]-8-fluoranyl-quinoline-2-carboxamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl]-8-fluoranyl-quinoline-2-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-3-pyridyl]methyl]-8-fluoro-quinoline-2-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridinyl]methyl]-8-fluoro-2-quinolinecarboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-3-yl]methyl]-8-fluoroquinoline-2-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)-3-pyridyl]methyl]-8-fluoro-quinaldamide Formula: C22H22FN5O2 MolecularWeight: 407.440783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=NC4=C(C=CC=C4F)C=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=NC4=C(C=CC=C4F)C=C3

InChI

InChI=1S/C22H22FN5O2/c1-15(29)27-10-12-28(13-11-27)21-17(5-3-9-24-21)14-25-22(30)19-8-7-16-4-2-6-18(23)20(16)26-19/h2-9H,10-14H2,1H3,(H,25,30)