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

Systemtic Name: N-[3-azanyl-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxidanylidene-isoquinolin-7-yl]-2-methoxy-benzamide Openeye Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolyl]-2-methoxy-benzamide CAS Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolinyl]-2-methoxybenzamide IUPAC Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxoisoquinolin-7-yl]-2-methoxybenzamide Traditional Name: N-[3-amino-4-(2-fluorophenyl)-1-keto-2-(3-methoxypropyl)-7-isoquinolyl]-2-methoxy-benzamide Formula: C27H26FN3O4 MolecularWeight: 475.511443

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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=C3OC)C4=CC=CC=C4F)N

Isomeric SMILES

COCCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CC=C3OC)C4=CC=CC=C4F)N

InChI

InChI=1S/C27H26FN3O4/c1-34-15-7-14-31-25(29)24(19-8-3-5-10-22(19)28)18-13-12-17(16-21(18)27(31)33)30-26(32)20-9-4-6-11-23(20)35-2/h3-6,8-13,16H,7,14-15,29H2,1-2H3,(H,30,32)