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

Systemtic Name: N-[3-azanyl-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-amino-2-(2-methoxyethyl)-4-(m-tolyl)-1-oxo-7-isoquinolyl]-2-fluoro-benzamide CAS Name: N-[3-amino-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-2-fluorobenzamide IUPAC Name: N-[3-amino-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]-2-fluorobenzamide Traditional Name: N-[3-amino-1-keto-2-(2-methoxyethyl)-4-(m-tolyl)-7-isoquinolyl]-2-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=C4F)CCOC)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4F)CCOC)N

InChI

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