1-(azepan-1-yl)-2-[4-(4-ethoxy-3-nitro-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-ethoxy-3-nitro-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-ethoxy-3-nitro-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-ethoxy-3-nitrobenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4-ethoxy-3-nitro-benzoyl)piperazino]ethanone Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O5/c1-2-30-19-8-7-17(15-18(19)25(28)29)21(27)24-13-11-22(12-14-24)16-20(26)23-9-5-3-4-6-10-23/h7-8,15H,2-6,9-14,16H2,1H3