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

Systemtic Name: 1-[[3-ethyl-5-(4-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-prop-2-ynoxy-propan-2-ol Openeye Name: 1-[[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]-3-prop-2-ynoxy-propan-2-ol CAS Name: 1-[[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-4-pyrazolyl]methyl-(2-methylpropyl)amino]-3-prop-2-ynoxy-2-propanol IUPAC Name: 1-[[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-prop-2-ynoxypropan-2-ol Traditional Name: 1-[[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isobutyl-amino]-3-propargyloxy-propan-2-ol Formula: C28H34FN3O3 MolecularWeight: 479.586263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CN(CC(C)C)CC(COCC#C)O)OC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(=C1CN(CC(C)C)CC(COCC#C)O)OC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C28H34FN3O3/c1-5-16-34-20-24(33)18-31(17-21(3)4)19-26-27(6-2)30-32(23-10-8-7-9-11-23)28(26)35-25-14-12-22(29)13-15-25/h1,7-15,21,24,33H,6,16-20H2,2-4H3