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

Systemtic Name: N-[3-azanyl-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-7-yl]-3-methoxy-benzamide Openeye Name: N-[3-amino-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolyl]-3-methoxy-benzamide CAS Name: N-[3-amino-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolinyl]-3-methoxybenzamide IUPAC Name: N-[3-amino-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]-3-methoxybenzamide Traditional Name: N-[3-amino-4-(4-fluorophenyl)-1-keto-2-(2-methoxyethyl)-7-isoquinolyl]-3-methoxy-benzamide 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)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)F)N

Isomeric SMILES

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)F)N

InChI

InChI=1S/C26H24FN3O4/c1-33-13-12-30-24(28)23(16-6-8-18(27)9-7-16)21-11-10-19(15-22(21)26(30)32)29-25(31)17-4-3-5-20(14-17)34-2/h3-11,14-15H,12-13,28H2,1-2H3,(H,29,31)