3-(1-adamantyl)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(4-bromo-2-fluoro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(4-bromo-2-fluoro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H25BrFN3O MolecularWeight: 494.398603

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=C(C=C5)Br)F)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=C(C=C5)Br)F)C6=CC=CC=C6

InChI

InChI=1S/C26H25BrFN3O/c27-19-6-7-23(22(28)11-19)29-25(32)21-15-31(20-4-2-1-3-5-20)30-24(21)26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,15-18H,8-10,12-14H2,(H,29,32)