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

Systemtic Name: 3-(1-adamantyl)-N-[2-[bis(fluoranyl)methoxy]phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[2-(difluoromethoxy)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[2-(difluoromethoxy)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[2-(difluoromethoxy)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[2-(difluoromethoxy)phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C27H27F2N3O2 MolecularWeight: 463.518986

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC=CC=C5OC(F)F)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC=CC=C5OC(F)F)C6=CC=CC=C6

InChI

InChI=1S/C27H27F2N3O2/c28-26(29)34-23-9-5-4-8-22(23)30-25(33)21-16-32(20-6-2-1-3-7-20)31-24(21)27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,16-19,26H,10-15H2,(H,30,33)