N-(3-chloranyl-4-methyl-phenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O3/c1-15-2-3-16(12-19(15)23)25-22(29)14-26-8-10-27(11-9-26)20-4-5-21(28(30)31)18-13-24-7-6-17(18)20/h2-7,12-13H,8-11,14H2,1H3,(H,25,29)