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

Systemtic Name: N-[3-azanyl-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-3-fluoranyl-benzamide Openeye Name: N-[3-amino-2-(2-methoxyethyl)-4-(m-tolyl)-1-oxo-7-isoquinolyl]-3-fluoro-benzamide CAS Name: N-[3-amino-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-3-fluorobenzamide IUPAC Name: N-[3-amino-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]-3-fluorobenzamide Traditional Name: N-[3-amino-1-keto-2-(2-methoxyethyl)-4-(m-tolyl)-7-isoquinolyl]-3-fluoro-benzamide Formula: C26H24FN3O3 MolecularWeight: 445.485463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC(=CC=C4)F)CCOC)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC(=CC=C4)F)CCOC)N

InChI

InChI=1S/C26H24FN3O3/c1-16-5-3-6-17(13-16)23-21-10-9-20(29-25(31)18-7-4-8-19(27)14-18)15-22(21)26(32)30(24(23)28)11-12-33-2/h3-10,13-15H,11-12,28H2,1-2H3,(H,29,31)