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

Systemtic Name: 2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(4-bromo-3-nitro-1-pyrazolyl)-1-adamantyl]-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-bromo-3-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(3-pyridylmethyl)piperazino]ethanone Formula: C25H31BrN6O3 MolecularWeight: 543.45604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C(=N6)[N+](=O)[O-])Br

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C(=N6)[N+](=O)[O-])Br

InChI

InChI=1S/C25H31BrN6O3/c26-21-16-31(28-23(21)32(34)35)25-11-19-8-20(12-25)10-24(9-19,17-25)13-22(33)30-6-4-29(5-7-30)15-18-2-1-3-27-14-18/h1-3,14,16,19-20H,4-13,15,17H2