1-(azepan-1-yl)-2-[4-[1-(2-nitrophenyl)piperidin-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[1-(2-nitrophenyl)piperidin-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[1-(2-nitrophenyl)isonipecotoyl]piperazino]ethanone Formula: C24H35N5O4 MolecularWeight: 457.5658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H35N5O4/c30-23(27-11-5-1-2-6-12-27)19-25-15-17-28(18-16-25)24(31)20-9-13-26(14-10-20)21-7-3-4-8-22(21)29(32)33/h3-4,7-8,20H,1-2,5-6,9-19H2