4-[2-azanyl-3-fluoranyl-4-(2-fluoranylethylamino)-5-methanoyl-phenoxy]-7-methoxy-quinoline-6-carboxamide

Systemtic Name: 4-[2-azanyl-3-fluoranyl-4-(2-fluoranylethylamino)-5-methanoyl-phenoxy]-7-methoxy-quinoline-6-carboxamide Openeye Name: 4-[2-amino-3-fluoro-4-(2-fluoroethylamino)-5-formyl-phenoxy]-7-methoxy-quinoline-6-carboxamide CAS Name: 4-[2-amino-3-fluoro-4-(2-fluoroethylamino)-5-formylphenoxy]-7-methoxy-6-quinolinecarboxamide IUPAC Name: 4-[2-amino-3-fluoro-4-(2-fluoroethylamino)-5-formylphenoxy]-7-methoxyquinoline-6-carboxamide Traditional Name: 4-[2-amino-3-fluoro-4-(2-fluoroethylamino)-5-formyl-phenoxy]-7-methoxy-quinoline-6-carboxamide Formula: C20H18F2N4O4 MolecularWeight: 416.378126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=C(C(=C(C(=C3)C=O)NCCF)F)N

Isomeric SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=C(C(=C(C(=C3)C=O)NCCF)F)N

InChI

InChI=1S/C20H18F2N4O4/c1-29-15-8-13-11(7-12(15)20(24)28)14(2-4-25-13)30-16-6-10(9-27)19(26-5-3-21)17(22)18(16)23/h2,4,6-9,26H,3,5,23H2,1H3,(H2,24,28)