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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O3/c1-27(2)19-5-3-18(4-6-19)15-26-24(31)17-28-11-13-29(14-12-28)22-7-8-23(30(32)33)21-16-25-10-9-20(21)22/h3-10,16H,11-15,17H2,1-2H3,(H,26,31)