(1S)-N,N-dimethyl-N'-(8-nitroisoquinolin-5-yl)-1-phenyl-ethane-1,2-diamine

Systemtic Name: (1S)-N,N-dimethyl-N'-(8-nitroisoquinolin-5-yl)-1-phenyl-ethane-1,2-diamine Openeye Name: (1S)-N,N-dimethyl-N'-(8-nitro-5-isoquinolyl)-1-phenyl-ethane-1,2-diamine CAS Name: (1S)-N,N-dimethyl-N'-(8-nitro-5-isoquinolinyl)-1-phenylethane-1,2-diamine IUPAC Name: (1S)-N,N-dimethyl-N'-(8-nitroisoquinolin-5-yl)-1-phenylethane-1,2-diamine Traditional Name: dimethyl-[(1S)-2-[(8-nitro-5-isoquinolyl)amino]-1-phenyl-ethyl]amine Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)[C@H](CNC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2/c1-22(2)19(14-6-4-3-5-7-14)13-21-17-8-9-18(23(24)25)16-12-20-11-10-15(16)17/h3-12,19,21H,13H2,1-2H3/t19-/m1/s1