6-fluoranyl-2-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide

Systemtic Name: 6-fluoranyl-2-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide Openeye Name: 6-fluoro-2-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide CAS Name: 6-fluoro-2-(1-methyl-2-pyrrolyl)-N-[(3S)-2-oxo-3-azepanyl]-4-quinolinecarboxamide IUPAC Name: 6-fluoro-2-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide Traditional Name: 6-fluoro-N-[(3S)-2-ketoazepan-3-yl]-2-(1-methylpyrrol-2-yl)cinchoninamide Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CN1C=CC=C1C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C21H21FN4O2/c1-26-10-4-6-19(26)18-12-15(14-11-13(22)7-8-16(14)24-18)20(27)25-17-5-2-3-9-23-21(17)28/h4,6-8,10-12,17H,2-3,5,9H2,1H3,(H,23,28)(H,25,27)/t17-/m0/s1