N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-ethyl-4-nitro-benzamide

Systemtic Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-ethyl-4-nitro-benzamide Openeye Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-ethyl-4-nitro-benzamide CAS Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethyl-4-nitrobenzamide IUPAC Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethyl-4-nitrobenzamide Traditional Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-ethyl-4-nitro-benzamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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