2-(1-adamantyl)-1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]ethanone Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])C

InChI

InChI=1S/C27H35N5O3/c1-18-9-19(2)31(28-18)25-13-23(3-4-24(25)32(34)35)29-5-7-30(8-6-29)26(33)17-27-14-20-10-21(15-27)12-22(11-20)16-27/h3-4,9,13,20-22H,5-8,10-12,14-17H2,1-2H3