N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(3-oxidanyl-1-adamantyl)ethanamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(3-oxidanyl-1-adamantyl)ethanamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide Formula: C28H30FN3O2 MolecularWeight: 459.555103

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)NCC4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)NCC4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C28H30FN3O2/c29-23-8-6-21(7-9-23)26-22(17-32(31-26)24-4-2-1-3-5-24)16-30-25(33)15-27-11-19-10-20(12-27)14-28(34,13-19)18-27/h1-9,17,19-20,34H,10-16,18H2,(H,30,33)