N-(2-methylphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-methylphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(8-nitro-5-isoquinolyl)piperazino]-N-(o-tolyl)acetamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c1-16-4-2-3-5-19(16)24-22(28)15-25-10-12-26(13-11-25)20-6-7-21(27(29)30)18-14-23-9-8-17(18)20/h2-9,14H,10-13,15H2,1H3,(H,24,28)