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

Systemtic Name: N-[3-azanyl-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxidanylidene-isoquinolin-7-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolyl]-2-fluoro-benzamide CAS Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolinyl]-2-fluorobenzamide IUPAC Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxoisoquinolin-7-yl]-2-fluorobenzamide Traditional Name: N-[3-amino-4-(2-fluorophenyl)-1-keto-2-(3-methoxypropyl)-7-isoquinolyl]-2-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=C3F)C4=CC=CC=C4F)N

Isomeric SMILES

COCCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CC=C3F)C4=CC=CC=C4F)N

InChI

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