N-(3,4-dimethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H25N5O5/c1-32-21-6-3-16(13-22(21)33-2)25-23(29)15-26-9-11-27(12-10-26)19-4-5-20(28(30)31)18-14-24-8-7-17(18)19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)