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

Systemtic Name: 1-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazino]ethanone Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H30N4O3/c1-14(27)24-4-6-25(7-5-24)19-2-3-21(26(28)29)20(13-19)23-22-17-9-15-8-16(11-17)12-18(22)10-15/h2-3,13,15-18,22-23H,4-12H2,1H3