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

Systemtic Name: 2-(1-adamantyl)-1-[4-(2-methyl-4-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(2-methyl-4-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(2-methyl-4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(2-methyl-4-nitro-phenyl)piperazino]ethanone Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O3/c1-16-8-20(26(28)29)2-3-21(16)24-4-6-25(7-5-24)22(27)15-23-12-17-9-18(13-23)11-19(10-17)14-23/h2-3,8,17-19H,4-7,9-15H2,1H3