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

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C22H23N3O6 MolecularWeight: 425.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N3O6/c1-30-19-10-17(18(25(28)29)11-20(19)31-2)21(26)23-16-6-5-13-7-8-24(12-15(13)9-16)22(27)14-3-4-14/h5-6,9-11,14H,3-4,7-8,12H2,1-2H3,(H,23,26)