N-(2-adamantyl)-4-chloranyl-1-methyl-5-[4-(trifluoromethyloxy)phenyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-4-chloranyl-1-methyl-5-[4-(trifluoromethyloxy)phenyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-4-chloro-1-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-4-chloro-1-methyl-5-[4-(trifluoromethoxy)phenyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-4-chloro-1-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-4-chloro-1-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide Formula: C22H23ClF3N3O2 MolecularWeight: 453.88513

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2C3CC4CC(C3)CC2C4)Cl)C5=CC=C(C=C5)OC(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2C3CC4CC(C3)CC2C4)Cl)C5=CC=C(C=C5)OC(F)(F)F

InChI

InChI=1S/C22H23ClF3N3O2/c1-29-20(13-2-4-16(5-3-13)31-22(24,25)26)17(23)19(28-29)21(30)27-18-14-7-11-6-12(9-14)10-15(18)8-11/h2-5,11-12,14-15,18H,6-10H2,1H3,(H,27,30)