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

Systemtic Name: 1-[[3-ethyl-5-(2-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]methyl-propan-2-yl-amino]-3-prop-2-ynoxy-propan-2-ol Openeye Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isopropyl-amino]-3-prop-2-ynoxy-propan-2-ol CAS Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-4-pyrazolyl]methyl-propan-2-ylamino]-3-prop-2-ynoxy-2-propanol IUPAC Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-prop-2-ynoxypropan-2-ol Traditional Name: 1-[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-isopropyl-amino]-3-propargyloxy-propan-2-ol Formula: C27H32FN3O3 MolecularWeight: 465.559683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32FN3O3/c1-5-16-33-19-22(32)17-30(20(3)4)18-23-25(6-2)29-31(21-12-8-7-9-13-21)27(23)34-26-15-11-10-14-24(26)28/h1,7-15,20,22,32H,6,16-19H2,2-4H3