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

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

Click to see the large picture

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=C5)F

Isomeric SMILES

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

InChI

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