2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-adamantyl]-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(3-pyridylmethyl)piperazino]ethanone Formula: C26H33ClN6O3 MolecularWeight: 513.03162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C23CC4CC(C2)CC(C4)(C3)CC(=O)N5CCN(CC5)CC6=CN=CC=C6)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C23CC4CC(C2)CC(C4)(C3)CC(=O)N5CCN(CC5)CC6=CN=CC=C6)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H33ClN6O3/c1-18-23(27)24(33(35)36)29-32(18)26-12-20-9-21(13-26)11-25(10-20,17-26)14-22(34)31-7-5-30(6-8-31)16-19-3-2-4-28-15-19/h2-4,15,20-21H,5-14,16-17H2,1H3