1-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazino]ethanone Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4/c1-14(24)20-9-11-21(12-10-20)16-4-3-15(13-17(16)23(26)27)18(25)22-7-2-5-19-6-8-22/h3-4,13,19H,2,5-12H2,1H3