1-(azepan-1-yl)-2-[4-(2,4-dinitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2,4-dinitrophenyl)piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2,4-dinitrophenyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(2,4-dinitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2,4-dinitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2,4-dinitrophenyl)piperazino]ethanone Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O5/c24-18(21-7-3-1-2-4-8-21)14-19-9-11-20(12-10-19)16-6-5-15(22(25)26)13-17(16)23(27)28/h5-6,13H,1-4,7-12,14H2