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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4-methyl-3-nitro-benzoyl)piperazino]ethanone Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4/c1-16-6-7-17(14-18(16)24(27)28)20(26)23-12-10-21(11-13-23)15-19(25)22-8-4-2-3-5-9-22/h6-7,14H,2-5,8-13,15H2,1H3