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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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