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

Systemtic Name: 1-[[3-ethyl-5-(2-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]methyl-(2-methylpropyl)amino]-2-methyl-but-3-en-2-ol Openeye Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]-2-methyl-but-3-en-2-ol CAS Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-4-pyrazolyl]methyl-(2-methylpropyl)amino]-2-methyl-3-buten-2-ol IUPAC Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-2-methylbut-3-en-2-ol Traditional Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]-2-methyl-but-3-en-2-ol Formula: C27H34FN3O2 MolecularWeight: 451.576163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34FN3O2/c1-6-24-22(18-30(17-20(3)4)19-27(5,32)7-2)26(33-25-16-12-11-15-23(25)28)31(29-24)21-13-9-8-10-14-21/h7-16,20,32H,2,6,17-19H2,1,3-5H3