2-(1-adamantyl)-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]acetamide Formula: C22H25ClFN3O MolecularWeight: 401.904803

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=NN(C=C4)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=NN(C=C4)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C22H25ClFN3O/c23-18-2-1-3-19(24)17(18)13-27-5-4-20(26-27)25-21(28)12-22-9-14-6-15(10-22)8-16(7-14)11-22/h1-5,14-16H,6-13H2,(H,25,26,28)