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

Systemtic Name: 1-[[3-ethyl-5-(2-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]methyl-propan-2-yl-amino]-3-propan-2-yloxy-propan-2-ol Openeye Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isopropyl-amino]-3-isopropoxy-propan-2-ol CAS Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-4-pyrazolyl]methyl-propan-2-ylamino]-3-propan-2-yloxy-2-propanol IUPAC Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol Traditional Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isopropyl-amino]-3-isopropoxy-propan-2-ol Formula: C27H36FN3O3 MolecularWeight: 469.591443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36FN3O3/c1-6-25-23(17-30(19(2)3)16-22(32)18-33-20(4)5)27(34-26-15-11-10-14-24(26)28)31(29-25)21-12-8-7-9-13-21/h7-15,19-20,22,32H,6,16-18H2,1-5H3