N-[4-(1-adamantyl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C26H26F3N5O2 MolecularWeight: 497.51215

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)C(F)(F)F

InChI

InChI=1S/C26H26F3N5O2/c1-36-22-7-6-21(32-33-22)34-23(26(27,28)29)20(14-30-34)24(35)31-19-4-2-18(3-5-19)25-11-15-8-16(12-25)10-17(9-15)13-25/h2-7,14-17H,8-13H2,1H3,(H,31,35)