2-[4-(1,5-dimethoxyisoquinolin-4-yl)-2-nitro-phenyl]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[4-(1,5-dimethoxyisoquinolin-4-yl)-2-nitro-phenyl]-N,N-dimethyl-ethanamine Openeye Name: 2-[4-(1,5-dimethoxy-4-isoquinolyl)-2-nitro-phenyl]-N,N-dimethyl-ethanamine CAS Name: 2-[4-(1,5-dimethoxy-4-isoquinolinyl)-2-nitrophenyl]-N,N-dimethylethanamine IUPAC Name: 2-[4-(1,5-dimethoxyisoquinolin-4-yl)-2-nitrophenyl]-N,N-dimethylethanamine Traditional Name: 2-[4-(1,5-dimethoxy-4-isoquinolyl)-2-nitro-phenyl]ethyl-dimethyl-amine Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(C=C(C=C1)C2=CN=C(C3=C2C(=CC=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC1=C(C=C(C=C1)C2=CN=C(C3=C2C(=CC=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-23(2)11-10-14-8-9-15(12-18(14)24(25)26)17-13-22-21(28-4)16-6-5-7-19(27-3)20(16)17/h5-9,12-13H,10-11H2,1-4H3