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

Systemtic Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazino]-phenyl-methanone Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3/c32-27(20-4-2-1-3-5-20)30-10-8-29(9-11-30)23-6-7-25(31(33)34)24(17-23)28-26-21-13-18-12-19(15-21)16-22(26)14-18/h1-7,17-19,21-22,26,28H,8-16H2