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

Systemtic Name: N-[3-azanyl-4-(4-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-2-methoxy-benzamide Openeye Name: N-[3-amino-1-oxo-4-(p-tolyl)-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-2-methoxy-benzamide CAS Name: N-[3-amino-4-(4-methylphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-2-methoxybenzamide IUPAC Name: N-[3-amino-4-(4-methylphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-2-methoxybenzamide Traditional Name: N-[3-amino-1-keto-4-(p-tolyl)-2-(tetrahydrofurfuryl)-7-isoquinolyl]-2-methoxy-benzamide Formula: C29H29N3O4 MolecularWeight: 483.55826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4OC)CC5CCCO5)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4OC)CC5CCCO5)N

InChI

InChI=1S/C29H29N3O4/c1-18-9-11-19(12-10-18)26-22-14-13-20(31-28(33)23-7-3-4-8-25(23)35-2)16-24(22)29(34)32(27(26)30)17-21-6-5-15-36-21/h3-4,7-14,16,21H,5-6,15,17,30H2,1-2H3,(H,31,33)