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

Systemtic Name: 1-[[3-ethyl-5-(2-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-propan-2-yloxy-propan-2-ol Openeye Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]-3-isopropoxy-propan-2-ol CAS Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-4-pyrazolyl]methyl-(2-methylpropyl)amino]-3-propan-2-yloxy-2-propanol IUPAC Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol Traditional Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]-3-isopropoxy-propan-2-ol Formula: C28H38FN3O3 MolecularWeight: 483.618023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38FN3O3/c1-6-26-24(18-31(16-20(2)3)17-23(33)19-34-21(4)5)28(35-27-15-11-10-14-25(27)29)32(30-26)22-12-8-7-9-13-22/h7-15,20-21,23,33H,6,16-19H2,1-5H3