2-[methyl-(8-nitroisoquinolin-5-yl)amino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[methyl-(8-nitroisoquinolin-5-yl)amino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[methyl-(8-nitro-5-isoquinolyl)amino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[methyl-(8-nitro-5-isoquinolinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[methyl-(8-nitroisoquinolin-5-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[methyl-(8-nitro-5-isoquinolyl)amino]acetamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-13-9-14(2)21(15(3)10-13)23-20(26)12-24(4)18-5-6-19(25(27)28)17-11-22-8-7-16(17)18/h5-11H,12H2,1-4H3,(H,23,26)