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

Systemtic Name: 1-[[3-ethyl-5-(2-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-methyl-butan-2-ol Openeye Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]-3-methyl-butan-2-ol CAS Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-4-pyrazolyl]methyl-(2-methylpropyl)amino]-3-methyl-2-butanol IUPAC Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-methylbutan-2-ol Traditional Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]-3-methyl-butan-2-ol Formula: C27H36FN3O2 MolecularWeight: 453.592043

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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/C27H36FN3O2/c1-6-24-22(17-30(16-19(2)3)18-25(32)20(4)5)27(33-26-15-11-10-14-23(26)28)31(29-24)21-12-8-7-9-13-21/h7-15,19-20,25,32H,6,16-18H2,1-5H3