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

Systemtic Name: N-[3-azanyl-4-(3-fluorophenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-2-methoxy-benzamide Openeye Name: N-[3-amino-4-(3-fluorophenyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-2-methoxy-benzamide CAS Name: N-[3-amino-4-(3-fluorophenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-2-methoxybenzamide IUPAC Name: N-[3-amino-4-(3-fluorophenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-2-methoxybenzamide Traditional Name: N-[3-amino-4-(3-fluorophenyl)-1-keto-2-(tetrahydrofurfuryl)-7-isoquinolyl]-2-methoxy-benzamide Formula: C28H26FN3O4 MolecularWeight: 487.522143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)CC4CCCO4)N)C5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)CC4CCCO4)N)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H26FN3O4/c1-35-24-10-3-2-9-22(24)27(33)31-19-11-12-21-23(15-19)28(34)32(16-20-8-5-13-36-20)26(30)25(21)17-6-4-7-18(29)14-17/h2-4,6-7,9-12,14-15,20H,5,8,13,16,30H2,1H3,(H,31,33)