2-(1-adamantyl)-1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]ethanone Formula: C28H38N4O MolecularWeight: 446.62752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H38N4O/c1-20-26(21(2)32(29-20)25-6-4-3-5-7-25)19-30-8-10-31(11-9-30)27(33)18-28-15-22-12-23(16-28)14-24(13-22)17-28/h3-7,22-24H,8-19H2,1-2H3