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

Systemtic Name: N-[3-azanyl-4-(3-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-4-methyl-benzamide Openeye Name: N-[3-amino-4-(m-tolyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-4-methyl-benzamide CAS Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-4-methylbenzamide Traditional Name: N-[3-amino-1-keto-4-(m-tolyl)-2-(tetrahydrofurfuryl)-7-isoquinolyl]-4-methyl-benzamide Formula: C29H29N3O3 MolecularWeight: 467.55886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)CC4CCCO4)N)C5=CC(=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)CC4CCCO4)N)C5=CC(=CC=C5)C

InChI

InChI=1S/C29H29N3O3/c1-18-8-10-20(11-9-18)28(33)31-22-12-13-24-25(16-22)29(34)32(17-23-7-4-14-35-23)27(30)26(24)21-6-3-5-19(2)15-21/h3,5-6,8-13,15-16,23H,4,7,14,17,30H2,1-2H3,(H,31,33)