N-(2-adamantyl)-5-[2,4-bis(fluoranyl)phenyl]-1,4-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-5-[2,4-bis(fluoranyl)phenyl]-1,4-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-5-(2,4-difluorophenyl)-1,4-dimethyl-pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-5-(2,4-difluorophenyl)-1,4-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-5-(2,4-difluorophenyl)-1,4-dimethylpyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-5-(2,4-difluorophenyl)-1,4-dimethyl-pyrazole-3-carboxamide Formula: C22H25F2N3O MolecularWeight: 385.450206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC2C3CC4CC(C3)CC2C4)C)C5=C(C=C(C=C5)F)F

Isomeric SMILES

CC1=C(N(N=C1C(=O)NC2C3CC4CC(C3)CC2C4)C)C5=C(C=C(C=C5)F)F

InChI

InChI=1S/C22H25F2N3O/c1-11-19(26-27(2)21(11)17-4-3-16(23)10-18(17)24)22(28)25-20-14-6-12-5-13(8-14)9-15(20)7-12/h3-4,10,12-15,20H,5-9H2,1-2H3,(H,25,28)