1-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazino]-2,2-dimethyl-propan-1-one Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O3/c1-25(2,3)24(30)28-8-6-27(7-9-28)20-4-5-22(29(31)32)21(15-20)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,15-19,23,26H,6-14H2,1-3H3