2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(2-furylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(4-bromo-3-nitro-1-pyrazolyl)-1-adamantyl]-1-[4-(2-furanylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-bromo-3-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(2-furfuryl)piperazino]ethanone Formula: C24H30BrN5O4 MolecularWeight: 532.4301

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)C(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C(=N6)[N+](=O)[O-])Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)C(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C(=N6)[N+](=O)[O-])Br

InChI

InChI=1S/C24H30BrN5O4/c25-20-15-29(26-22(20)30(32)33)24-11-17-8-18(12-24)10-23(9-17,16-24)13-21(31)28-5-3-27(4-6-28)14-19-2-1-7-34-19/h1-2,7,15,17-18H,3-6,8-14,16H2