1-(azepan-1-yl)-2-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[1-(3-nitrophenyl)ethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[1-(3-nitrophenyl)ethyl]piperazino]ethanone Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3/c1-17(18-7-6-8-19(15-18)24(26)27)22-13-11-21(12-14-22)16-20(25)23-9-4-2-3-5-10-23/h6-8,15,17H,2-5,9-14,16H2,1H3