4-[4-(cyclopropylcarbamoylamino)-3-fluoranyl-phenoxy]-N,7-dimethoxy-quinoline-6-carboxamide

Systemtic Name: 4-[4-(cyclopropylcarbamoylamino)-3-fluoranyl-phenoxy]-N,7-dimethoxy-quinoline-6-carboxamide Openeye Name: 4-[4-(cyclopropylcarbamoylamino)-3-fluoro-phenoxy]-N,7-dimethoxy-quinoline-6-carboxamide CAS Name: 4-[4-[[(cyclopropylamino)-oxomethyl]amino]-3-fluorophenoxy]-N,7-dimethoxy-6-quinolinecarboxamide IUPAC Name: 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-N,7-dimethoxyquinoline-6-carboxamide Traditional Name: 4-[4-(cyclopropylcarbamoylamino)-3-fluoro-phenoxy]-N,7-dimethoxy-quinoline-6-carboxamide Formula: C22H21FN4O5 MolecularWeight: 440.424343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=CC(=C2C=C1C(=O)NOC)OC3=CC(=C(C=C3)NC(=O)NC4CC4)F

Isomeric SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)NOC)OC3=CC(=C(C=C3)NC(=O)NC4CC4)F

InChI

InChI=1S/C22H21FN4O5/c1-30-20-11-18-14(10-15(20)21(28)27-31-2)19(7-8-24-18)32-13-5-6-17(16(23)9-13)26-22(29)25-12-3-4-12/h5-12H,3-4H2,1-2H3,(H,27,28)(H2,25,26,29)