(2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: (2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: (2R,3R)-2-(2,4-difluorophenyl)-3-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: (2R,3R)-2-(2,4-difluorophenyl)-3-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: (2R,3R)-2-(2,4-difluorophenyl)-3-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: (2R,3R)-2-(2,4-difluorophenyl)-3-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C22H28F2N4O MolecularWeight: 402.480726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(C)CC=CC#CC(C)(C)C

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(C)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C22H28F2N4O/c1-17(27(5)12-8-6-7-11-21(2,3)4)22(29,14-28-16-25-15-26-28)19-10-9-18(23)13-20(19)24/h6,8-10,13,15-17,29H,12,14H2,1-5H3/b8-6+/t17-,22-/m1/s1