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

Systemtic Name: 1-(azepan-1-yl)-2-[4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[4-(3-methylpiperidino)-3-nitro-benzoyl]piperazino]ethanone Formula: C25H37N5O4 MolecularWeight: 471.59238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H37N5O4/c1-20-7-6-12-29(18-20)22-9-8-21(17-23(22)30(33)34)25(32)28-15-13-26(14-16-28)19-24(31)27-10-4-2-3-5-11-27/h8-9,17,20H,2-7,10-16,18-19H2,1H3