4,5-dimethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-4,5-dimethoxy-2-nitro-benzamide Formula: C22H25N3O6 MolecularWeight: 427.4504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H25N3O6/c1-13(2)22(27)24-8-7-14-5-6-16(9-15(14)12-24)23-21(26)17-10-19(30-3)20(31-4)11-18(17)25(28)29/h5-6,9-11,13H,7-8,12H2,1-4H3,(H,23,26)