N-(2-adamantyl)-5-[3-(hydroxymethyl)piperidin-1-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-adamantyl)-5-[3-(hydroxymethyl)piperidin-1-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2-adamantyl)-5-[3-(hydroxymethyl)-1-piperidyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(2-adamantyl)-5-[3-(hydroxymethyl)-1-piperidinyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-5-[3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2-adamantyl)-5-(3-methylolpiperidino)-1-phenyl-pyrazole-4-carboxamide Formula: C26H34N4O2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NC4C5CC6CC(C5)CC4C6)CO

Isomeric SMILES

C1CC(CN(C1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NC4C5CC6CC(C5)CC4C6)CO

InChI

InChI=1S/C26H34N4O2/c31-16-17-5-4-8-29(15-17)26-23(14-27-30(26)22-6-2-1-3-7-22)25(32)28-24-20-10-18-9-19(12-20)13-21(24)11-18/h1-3,6-7,14,17-21,24,31H,4-5,8-13,15-16H2,(H,28,32)