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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4F)CC5CCCO5)N

Isomeric SMILES

COC1=CC=CC=C1C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4F)CC5CCCO5)N

InChI

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