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

Systemtic Name: N-[3-azanyl-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-7-yl]thiophene-2-carboxamide Openeye Name: N-[3-amino-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolyl]thiophene-2-carboxamide CAS Name: N-[3-amino-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolinyl]-2-thiophenecarboxamide IUPAC Name: N-[3-amino-4-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]thiophene-2-carboxamide Traditional Name: N-[3-amino-4-(4-fluorophenyl)-1-keto-2-(2-methoxyethyl)-7-isoquinolyl]thiophene-2-carboxamide Formula: C23H20FN3O3S MolecularWeight: 437.486603

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CS3)C4=CC=C(C=C4)F)N

Isomeric SMILES

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CS3)C4=CC=C(C=C4)F)N

InChI

InChI=1S/C23H20FN3O3S/c1-30-11-10-27-21(25)20(14-4-6-15(24)7-5-14)17-9-8-16(13-18(17)23(27)29)26-22(28)19-3-2-12-31-19/h2-9,12-13H,10-11,25H2,1H3,(H,26,28)