6-fluoranyl-2-(1-methylpyrrol-2-yl)-N-[1-(phenylmethyl)piperidin-4-yl]quinoline-4-carboxamide

Systemtic Name: 6-fluoranyl-2-(1-methylpyrrol-2-yl)-N-[1-(phenylmethyl)piperidin-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide CAS Name: 6-fluoro-2-(1-methyl-2-pyrrolyl)-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-6-fluoro-2-(1-methylpyrrol-2-yl)cinchoninamide Formula: C27H27FN4O MolecularWeight: 442.527883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C=CC=C1C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27FN4O/c1-31-13-5-8-26(31)25-17-23(22-16-20(28)9-10-24(22)30-25)27(33)29-21-11-14-32(15-12-21)18-19-6-3-2-4-7-19/h2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,29,33)