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

Systemtic Name: N-[3-azanyl-4-(3-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-amino-4-(m-tolyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-2-fluoro-benzamide CAS Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-2-fluorobenzamide IUPAC Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-2-fluorobenzamide Traditional Name: N-[3-amino-1-keto-4-(m-tolyl)-2-(tetrahydrofurfuryl)-7-isoquinolyl]-2-fluoro-benzamide Formula: C28H26FN3O3 MolecularWeight: 471.522743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4F)CC5CCCO5)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4F)CC5CCCO5)N

InChI

InChI=1S/C28H26FN3O3/c1-17-6-4-7-18(14-17)25-21-12-11-19(31-27(33)22-9-2-3-10-24(22)29)15-23(21)28(34)32(26(25)30)16-20-8-5-13-35-20/h2-4,6-7,9-12,14-15,20H,5,8,13,16,30H2,1H3,(H,31,33)