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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-(4-methylbenzyl)-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c1-17-2-4-18(5-3-17)14-25-23(29)16-26-10-12-27(13-11-26)21-6-7-22(28(30)31)20-15-24-9-8-19(20)21/h2-9,15H,10-14,16H2,1H3,(H,25,29)