N-(2-chlorophenyl)-2-[4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[2-(dimethylamino)-5-nitro-benzoyl]piperazin-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[2-(dimethylamino)-5-nitrobenzoyl]piperazin-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[2-(dimethylamino)-5-nitro-benzoyl]piperazino]acetamide Formula: C21H24ClN5O4 MolecularWeight: 445.89936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN5O4/c1-24(2)19-8-7-15(27(30)31)13-16(19)21(29)26-11-9-25(10-12-26)14-20(28)23-18-6-4-3-5-17(18)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,28)