N-(4-bromanyl-2-methyl-phenyl)-2-[methyl-(8-nitroisoquinolin-5-yl)amino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[methyl-(8-nitroisoquinolin-5-yl)amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[methyl-(8-nitro-5-isoquinolyl)amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[methyl-(8-nitro-5-isoquinolinyl)amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[methyl-(8-nitroisoquinolin-5-yl)amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[methyl-(8-nitro-5-isoquinolyl)amino]acetamide Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O3/c1-12-9-13(20)3-4-16(12)22-19(25)11-23(2)17-5-6-18(24(26)27)15-10-21-8-7-14(15)17/h3-10H,11H2,1-2H3,(H,22,25)