1-[[3-ethyl-5-(2-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]methyl-(2-methylpropyl)amino]hex-5-en-2-ol

Systemtic Name: 1-[[3-ethyl-5-(2-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]methyl-(2-methylpropyl)amino]hex-5-en-2-ol Openeye Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]hex-5-en-2-ol CAS Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-4-pyrazolyl]methyl-(2-methylpropyl)amino]-5-hexen-2-ol IUPAC Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]hex-5-en-2-ol Traditional Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]hex-5-en-2-ol Formula: C28H36FN3O2 MolecularWeight: 465.602743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CN(CC(C)C)CC(CCC=C)O)OC2=CC=CC=C2F)C3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(=C1CN(CC(C)C)CC(CCC=C)O)OC2=CC=CC=C2F)C3=CC=CC=C3

InChI

InChI=1S/C28H36FN3O2/c1-5-7-15-23(33)19-31(18-21(3)4)20-24-26(6-2)30-32(22-13-9-8-10-14-22)28(24)34-27-17-12-11-16-25(27)29/h5,8-14,16-17,21,23,33H,1,6-7,15,18-20H2,2-4H3