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

Systemtic Name: 2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(2-furylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-adamantyl]-1-[4-(2-furanylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-1-[4-(2-furfuryl)piperazino]ethanone Formula: C25H32ClN5O4 MolecularWeight: 502.00568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C23CC4CC(C2)CC(C4)(C3)CC(=O)N5CCN(CC5)CC6=CC=CO6)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C23CC4CC(C2)CC(C4)(C3)CC(=O)N5CCN(CC5)CC6=CC=CO6)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H32ClN5O4/c1-17-22(26)23(31(33)34)27-30(17)25-12-18-9-19(13-25)11-24(10-18,16-25)14-21(32)29-6-4-28(5-7-29)15-20-3-2-8-35-20/h2-3,8,18-19H,4-7,9-16H2,1H3