7-fluoranyl-2-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]quinoline-4-carboxamide

Systemtic Name: 7-fluoranyl-2-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]quinoline-4-carboxamide Openeye Name: 7-fluoro-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]quinoline-4-carboxamide CAS Name: 7-fluoro-2-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-quinolinecarboxamide IUPAC Name: 7-fluoro-2-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]quinoline-4-carboxamide Traditional Name: 7-fluoro-N-[6-(3-ketopiperazino)-3-pyridyl]-2-methyl-cinchoninamide Formula: C20H18FN5O2 MolecularWeight: 379.387623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C20H18FN5O2/c1-12-8-16(15-4-2-13(21)9-17(15)24-12)20(28)25-14-3-5-18(23-10-14)26-7-6-22-19(27)11-26/h2-5,8-10H,6-7,11H2,1H3,(H,22,27)(H,25,28)