1-[[5-[2,4-bis(fluoranyl)phenoxy]-1-methyl-3-phenyl-pyrazol-4-yl]methyl-propyl-amino]hex-5-en-2-ol

Systemtic Name: 1-[[5-[2,4-bis(fluoranyl)phenoxy]-1-methyl-3-phenyl-pyrazol-4-yl]methyl-propyl-amino]hex-5-en-2-ol Openeye Name: 1-[[5-(2,4-difluorophenoxy)-1-methyl-3-phenyl-pyrazol-4-yl]methyl-propyl-amino]hex-5-en-2-ol CAS Name: 1-[[5-(2,4-difluorophenoxy)-1-methyl-3-phenyl-4-pyrazolyl]methyl-propylamino]-5-hexen-2-ol IUPAC Name: 1-[[5-(2,4-difluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hex-5-en-2-ol Traditional Name: 1-[[5-(2,4-difluorophenoxy)-1-methyl-3-phenyl-pyrazol-4-yl]methyl-propyl-amino]hex-5-en-2-ol Formula: C26H31F2N3O2 MolecularWeight: 455.540046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(N(N=C1C2=CC=CC=C2)C)OC3=C(C=C(C=C3)F)F)CC(CCC=C)O

Isomeric SMILES

CCCN(CC1=C(N(N=C1C2=CC=CC=C2)C)OC3=C(C=C(C=C3)F)F)CC(CCC=C)O

InChI

InChI=1S/C26H31F2N3O2/c1-4-6-12-21(32)17-31(15-5-2)18-22-25(19-10-8-7-9-11-19)29-30(3)26(22)33-24-14-13-20(27)16-23(24)28/h4,7-11,13-14,16,21,32H,1,5-6,12,15,17-18H2,2-3H3