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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)CC4CCCO4)N)C5=CC=CC=C5F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)CC4CCCO4)N)C5=CC=CC=C5F

InChI

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