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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O3/c1-26(2)18-5-3-17(4-6-18)25-23(30)16-27-11-13-28(14-12-27)21-7-8-22(29(31)32)20-15-24-10-9-19(20)21/h3-10,15H,11-14,16H2,1-2H3,(H,25,30)