N1-(6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-yl)-N1',N1'-diethyl-ethane-1,1-diamine

Systemtic Name: N1-(6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-yl)-N1',N1'-diethyl-ethane-1,1-diamine Openeye Name: N1-(6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl)-N1',N1'-diethyl-ethane-1,1-diamine CAS Name: N1-(6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolinyl)-N1',N1'-diethylethane-1,1-diamine IUPAC Name: 1-N-(6,7-dimethoxy-1-methyl-4-nitroisoquinolin-3-yl)-1-N',1-N'-diethylethane-1,1-diamine Traditional Name: 1-[(6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl)amino]ethyl-diethyl-amine Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)NC1=C(C2=CC(=C(C=C2C(=N1)C)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(C)NC1=C(C2=CC(=C(C=C2C(=N1)C)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O4/c1-7-21(8-2)12(4)20-18-17(22(23)24)14-10-16(26-6)15(25-5)9-13(14)11(3)19-18/h9-10,12H,7-8H2,1-6H3,(H,19,20)