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

Systemtic Name: 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanone Openeye Name: 1-[4-(2-furylmethyl)piperazin-1-yl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanone CAS Name: 1-[4-(2-furanylmethyl)-1-piperazinyl]-2-[3-(4-nitro-1-pyrazolyl)-1-adamantyl]ethanone IUPAC Name: 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanone Traditional Name: 1-[4-(2-furfuryl)piperazino]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanone Formula: C24H31N5O4 MolecularWeight: 453.53404

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O4/c30-22(27-5-3-26(4-6-27)16-21-2-1-7-33-21)13-23-9-18-8-19(10-23)12-24(11-18,17-23)28-15-20(14-25-28)29(31)32/h1-2,7,14-15,18-19H,3-6,8-13,16-17H2