2-(1-adamantyl)-1-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[3-(methylamino)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[3-(methylamino)-4-nitro-phenyl]piperazino]ethanone Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O3/c1-24-20-11-19(2-3-21(20)27(29)30)25-4-6-26(7-5-25)22(28)15-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-3,11,16-18,24H,4-10,12-15H2,1H3