(2S)-N2,N2-dimethyl-N1-(8-nitroisoquinolin-5-yl)-3-phenyl-propane-1,2-diamine

Systemtic Name: (2S)-N2,N2-dimethyl-N1-(8-nitroisoquinolin-5-yl)-3-phenyl-propane-1,2-diamine Openeye Name: (2S)-N2,N2-dimethyl-N1-(8-nitro-5-isoquinolyl)-3-phenyl-propane-1,2-diamine CAS Name: (2S)-N2,N2-dimethyl-N1-(8-nitro-5-isoquinolinyl)-3-phenylpropane-1,2-diamine IUPAC Name: (2S)-2-N,2-N-dimethyl-1-N-(8-nitroisoquinolin-5-yl)-3-phenylpropane-1,2-diamine Traditional Name: [(1S)-1-benzyl-2-[(8-nitro-5-isoquinolyl)amino]ethyl]-dimethyl-amine Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CC=CC=C1)CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)[C@@H](CC1=CC=CC=C1)CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2/c1-23(2)16(12-15-6-4-3-5-7-15)13-22-19-8-9-20(24(25)26)18-14-21-11-10-17(18)19/h3-11,14,16,22H,12-13H2,1-2H3/t16-/m0/s1