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

Systemtic Name: 1-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazino]-2-phenyl-ethanone Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5)C(=O)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5)C(=O)CC6=CC=CC=C6

InChI

InChI=1S/C28H34N4O3/c33-27(17-19-4-2-1-3-5-19)31-10-8-30(9-11-31)24-6-7-26(32(34)35)25(18-24)29-28-22-13-20-12-21(15-22)16-23(28)14-20/h1-7,18,20-23,28-29H,8-17H2