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

Systemtic Name: N-[3-azanyl-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxidanylidene-isoquinolin-7-yl]-3-fluoranyl-benzamide Openeye Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolyl]-3-fluoro-benzamide CAS Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolinyl]-3-fluorobenzamide IUPAC Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxoisoquinolin-7-yl]-3-fluorobenzamide Traditional Name: N-[3-amino-4-(2-fluorophenyl)-1-keto-2-(3-methoxypropyl)-7-isoquinolyl]-3-fluoro-benzamide Formula: C26H23F2N3O3 MolecularWeight: 463.475926

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C4=CC=CC=C4F)N

Isomeric SMILES

COCCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C4=CC=CC=C4F)N

InChI

InChI=1S/C26H23F2N3O3/c1-34-13-5-12-31-24(29)23(20-8-2-3-9-22(20)28)19-11-10-18(15-21(19)26(31)33)30-25(32)16-6-4-7-17(27)14-16/h2-4,6-11,14-15H,5,12-13,29H2,1H3,(H,30,32)