N-[3-azanyl-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-7-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[3-azanyl-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-7-yl]-2-phenoxy-ethanamide Openeye Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolyl]-2-phenoxy-acetamide CAS Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolinyl]-2-phenoxyacetamide IUPAC Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]-2-phenoxyacetamide Traditional Name: N-[3-amino-4-(2-fluorophenyl)-1-keto-2-(2-methoxyethyl)-7-isoquinolyl]-2-phenoxy-acetamide Formula: C26H24FN3O4 MolecularWeight: 461.484863

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)COC3=CC=CC=C3)C4=CC=CC=C4F)N

Isomeric SMILES

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)COC3=CC=CC=C3)C4=CC=CC=C4F)N

InChI

InChI=1S/C26H24FN3O4/c1-33-14-13-30-25(28)24(20-9-5-6-10-22(20)27)19-12-11-17(15-21(19)26(30)32)29-23(31)16-34-18-7-3-2-4-8-18/h2-12,15H,13-14,16,28H2,1H3,(H,29,31)