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

Systemtic Name: N-[3-azanyl-2-(3-methoxypropyl)-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-amino-2-(3-methoxypropyl)-4-(m-tolyl)-1-oxo-7-isoquinolyl]-2-fluoro-benzamide CAS Name: N-[3-amino-2-(3-methoxypropyl)-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-2-fluorobenzamide IUPAC Name: N-[3-amino-2-(3-methoxypropyl)-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]-2-fluorobenzamide Traditional Name: N-[3-amino-1-keto-2-(3-methoxypropyl)-4-(m-tolyl)-7-isoquinolyl]-2-fluoro-benzamide Formula: C27H26FN3O3 MolecularWeight: 459.512043

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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)CCCOC)N

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN3O3/c1-17-7-5-8-18(15-17)24-20-12-11-19(30-26(32)21-9-3-4-10-23(21)28)16-22(20)27(33)31(25(24)29)13-6-14-34-2/h3-5,7-12,15-16H,6,13-14,29H2,1-2H3,(H,30,32)