N-(2,3-dimethylphenyl)-2-[methyl-(8-nitroisoquinolin-5-yl)amino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[methyl-(8-nitroisoquinolin-5-yl)amino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[methyl-(8-nitro-5-isoquinolyl)amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[methyl-(8-nitro-5-isoquinolinyl)amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[methyl-(8-nitroisoquinolin-5-yl)amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[methyl-(8-nitro-5-isoquinolyl)amino]acetamide Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-13-5-4-6-17(14(13)2)22-20(25)12-23(3)18-7-8-19(24(26)27)16-11-21-10-9-15(16)18/h4-11H,12H2,1-3H3,(H,22,25)