2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(4-nitro-1-pyrazolyl)-1-adamantyl]-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(3-pyridylmethyl)piperazino]ethanone Formula: C25H32N6O3 MolecularWeight: 464.55998

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O3/c32-23(29-6-4-28(5-7-29)16-19-2-1-3-26-14-19)13-24-9-20-8-21(10-24)12-25(11-20,18-24)30-17-22(15-27-30)31(33)34/h1-3,14-15,17,20-21H,4-13,16,18H2