2-(1,3-benzodioxol-5-yl)-3-fluoranyl-N7-methyl-N4-pyridin-4-yl-quinoline-4,7-diamine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-fluoranyl-N7-methyl-N4-pyridin-4-yl-quinoline-4,7-diamine Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-fluoro-N7-methyl-N4-(4-pyridyl)quinoline-4,7-diamine CAS Name: 2-(1,3-benzodioxol-5-yl)-3-fluoro-N7-methyl-N4-pyridin-4-ylquinoline-4,7-diamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-fluoro-7-N-methyl-4-N-pyridin-4-ylquinoline-4,7-diamine Traditional Name: [2-(1,3-benzodioxol-5-yl)-3-fluoro-7-(methylamino)-4-quinolyl]-(4-pyridyl)amine Formula: C22H17FN4O2 MolecularWeight: 388.394383

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)C(=C(C(=N2)C3=CC4=C(C=C3)OCO4)F)NC5=CC=NC=C5

Isomeric SMILES

CNC1=CC2=C(C=C1)C(=C(C(=N2)C3=CC4=C(C=C3)OCO4)F)NC5=CC=NC=C5

InChI

InChI=1S/C22H17FN4O2/c1-24-15-3-4-16-17(11-15)27-21(13-2-5-18-19(10-13)29-12-28-18)20(23)22(16)26-14-6-8-25-9-7-14/h2-11,24H,12H2,1H3,(H,25,26,27)