3-(1-adamantyl)-N-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[4-(difluoromethoxy)-2-methyl-phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[4-(difluoromethoxy)-2-methyl-phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C28H29F2N3O2 MolecularWeight: 477.545566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(F)F)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C=CC(=C1)OC(F)F)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C28H29F2N3O2/c1-17-9-22(35-27(29)30)7-8-24(17)31-26(34)23-16-33(21-5-3-2-4-6-21)32-25(23)28-13-18-10-19(14-28)12-20(11-18)15-28/h2-9,16,18-20,27H,10-15H2,1H3,(H,31,34)