N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-8-nitro-isoquinolin-5-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-8-nitro-isoquinolin-5-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-8-nitro-5-isoquinolinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-8-nitroisoquinolin-5-amine Traditional Name: homoveratryl-methyl-(8-nitro-5-isoquinolyl)amine Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4/c1-22(11-9-14-4-7-19(26-2)20(12-14)27-3)17-5-6-18(23(24)25)16-13-21-10-8-15(16)17/h4-8,10,12-13H,9,11H2,1-3H3