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

Systemtic Name: 2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanone CAS Name: 2-[3-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-adamantyl]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanone Formula: C27H34ClN5O3 MolecularWeight: 512.04356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34ClN5O3/c1-19-24(28)25(33(35)36)29-32(19)27-14-21-11-22(15-27)13-26(12-21,18-27)16-23(34)31-9-7-30(8-10-31)17-20-5-3-2-4-6-20/h2-6,21-22H,7-18H2,1H3