2-(1,3-benzodioxol-5-yl)-7-bromanyl-3-fluoranyl-N-pyridin-4-yl-quinolin-4-amine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-7-bromanyl-3-fluoranyl-N-pyridin-4-yl-quinolin-4-amine Openeye Name: 2-(1,3-benzodioxol-5-yl)-7-bromo-3-fluoro-N-(4-pyridyl)quinolin-4-amine CAS Name: 2-(1,3-benzodioxol-5-yl)-7-bromo-3-fluoro-N-pyridin-4-yl-4-quinolinamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-7-bromo-3-fluoro-N-pyridin-4-ylquinolin-4-amine Traditional Name: [2-(1,3-benzodioxol-5-yl)-7-bromo-3-fluoro-4-quinolyl]-(4-pyridyl)amine Formula: C21H13BrFN3O2 MolecularWeight: 438.249223

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=CC(=C4)Br)C(=C3F)NC5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=CC(=C4)Br)C(=C3F)NC5=CC=NC=C5

InChI

InChI=1S/C21H13BrFN3O2/c22-13-2-3-15-16(10-13)26-20(12-1-4-17-18(9-12)28-11-27-17)19(23)21(15)25-14-5-7-24-8-6-14/h1-10H,11H2,(H,24,25,26)