4-[4-(3-chloranylpropylcarbamoylamino)-3-fluoranyl-phenoxy]-7-methoxy-quinoline-6-carboxamide

Systemtic Name: 4-[4-(3-chloranylpropylcarbamoylamino)-3-fluoranyl-phenoxy]-7-methoxy-quinoline-6-carboxamide Openeye Name: 4-[4-(3-chloropropylcarbamoylamino)-3-fluoro-phenoxy]-7-methoxy-quinoline-6-carboxamide CAS Name: 4-[4-[[(3-chloropropylamino)-oxomethyl]amino]-3-fluorophenoxy]-7-methoxy-6-quinolinecarboxamide IUPAC Name: 4-[4-(3-chloropropylcarbamoylamino)-3-fluorophenoxy]-7-methoxyquinoline-6-carboxamide Traditional Name: 4-[4-(3-chloropropylcarbamoylamino)-3-fluoro-phenoxy]-7-methoxy-quinoline-6-carboxamide Formula: C21H20ClFN4O4 MolecularWeight: 446.859303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN4O4/c1-30-19-11-17-13(10-14(19)20(24)28)18(5-8-25-17)31-12-3-4-16(15(23)9-12)27-21(29)26-7-2-6-22/h3-5,8-11H,2,6-7H2,1H3,(H2,24,28)(H2,26,27,29)