1-(azepan-1-yl)-2-[4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(dimethylamino)-5-nitro-benzoyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[2-(dimethylamino)-5-nitrobenzoyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(dimethylamino)-5-nitro-benzoyl]piperazino]ethanone Formula: C21H31N5O4 MolecularWeight: 417.50194

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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)N3CCCCCC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N5O4/c1-22(2)19-8-7-17(26(29)30)15-18(19)21(28)25-13-11-23(12-14-25)16-20(27)24-9-5-3-4-6-10-24/h7-8,15H,3-6,9-14,16H2,1-2H3