4-[2-azanyl-3-chloranyl-4-(2-fluoranylethylcarbamoyl)phenoxy]-7-methoxy-quinoline-6-carboxamide

Systemtic Name: 4-[2-azanyl-3-chloranyl-4-(2-fluoranylethylcarbamoyl)phenoxy]-7-methoxy-quinoline-6-carboxamide Openeye Name: 4-[2-amino-3-chloro-4-(2-fluoroethylcarbamoyl)phenoxy]-7-methoxy-quinoline-6-carboxamide CAS Name: 4-[2-amino-3-chloro-4-[(2-fluoroethylamino)-oxomethyl]phenoxy]-7-methoxy-6-quinolinecarboxamide IUPAC Name: 4-[2-amino-3-chloro-4-(2-fluoroethylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide Traditional Name: 4-[2-amino-3-chloro-4-(2-fluoroethylcarbamoyl)phenoxy]-7-methoxy-quinoline-6-carboxamide Formula: C20H18ClFN4O4 MolecularWeight: 432.832723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN4O4/c1-29-16-9-13-11(8-12(16)19(24)27)14(4-6-25-13)30-15-3-2-10(17(21)18(15)23)20(28)26-7-5-22/h2-4,6,8-9H,5,7,23H2,1H3,(H2,24,27)(H,26,28)