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

Systemtic Name: N-(2-chlorophenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN5O3/c22-17-3-1-2-4-18(17)24-21(28)14-25-9-11-26(12-10-25)19-5-6-20(27(29)30)16-13-23-8-7-15(16)19/h1-8,13H,9-12,14H2,(H,24,28)