4-[(1S,2R)-2-fluoranylcyclopropyl]-3-(1-methylcyclopropyl)-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole

Systemtic Name: 4-[(1S,2R)-2-fluoranylcyclopropyl]-3-(1-methylcyclopropyl)-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole Openeye Name: 4-[(1S,2R)-2-fluorocyclopropyl]-3-(1-methylcyclopropyl)-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole CAS Name: 4-[(1S,2R)-2-fluorocyclopropyl]-3-(1-methylcyclopropyl)-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole IUPAC Name: 4-[(1S,2R)-2-fluorocyclopropyl]-3-(1-methylcyclopropyl)-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-4-[(1S,2R)-2-fluorocyclopropyl]-5-(1-methylcyclopropyl)-1,2,4-triazole Formula: C22H34FN3 MolecularWeight: 359.523863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C4CC4F)C5(CC5)C

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3[C@H]4C[C@H]4F)C5(CC5)C

InChI

InChI=1S/C22H34FN3/c1-3-4-5-6-21-9-12-22(13-10-21,14-11-21)19-25-24-18(20(2)7-8-20)26(19)17-15-16(17)23/h16-17H,3-15H2,1-2H3/t16-,17+,21?,22?/m1/s1