N-(2-adamantyl)-5-[(4-fluorophenyl)methoxy]-1-(4-methoxyphenyl)pyrazole-4-carboxamide

Systemtic Name: N-(2-adamantyl)-5-[(4-fluorophenyl)methoxy]-1-(4-methoxyphenyl)pyrazole-4-carboxamide Openeye Name: N-(2-adamantyl)-5-[(4-fluorophenyl)methoxy]-1-(4-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(2-adamantyl)-5-[(4-fluorophenyl)methoxy]-1-(4-methoxyphenyl)-4-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-5-[(4-fluorophenyl)methoxy]-1-(4-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-(2-adamantyl)-5-(4-fluorobenzyl)oxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide Formula: C28H30FN3O3 MolecularWeight: 475.554503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3C4CC5CC(C4)CC3C5)OCC6=CC=C(C=C6)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3C4CC5CC(C4)CC3C5)OCC6=CC=C(C=C6)F

InChI

InChI=1S/C28H30FN3O3/c1-34-24-8-6-23(7-9-24)32-28(35-16-17-2-4-22(29)5-3-17)25(15-30-32)27(33)31-26-20-11-18-10-19(13-20)14-21(26)12-18/h2-9,15,18-21,26H,10-14,16H2,1H3,(H,31,33)