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

Systemtic Name: 2-(1-adamantyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]ethanone Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O4/c1-30-19-2-3-20(21(11-19)26(28)29)24-4-6-25(7-5-24)22(27)15-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-3,11,16-18H,4-10,12-15H2,1H3