4-(3-bromanylphenoxy)-2-[5-prop-2-ynoxy-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

Systemtic Name: 4-(3-bromanylphenoxy)-2-[5-prop-2-ynoxy-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine Openeye Name: 4-(3-bromophenoxy)-2-[5-prop-2-ynoxy-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine CAS Name: 4-(3-bromophenoxy)-2-[5-prop-2-ynoxy-3-(trifluoromethyl)-1-pyrazolyl]pyrimidine IUPAC Name: 4-(3-bromophenoxy)-2-[5-prop-2-ynoxy-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine Traditional Name: 4-(3-bromophenoxy)-2-[5-propargyloxy-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine Formula: C17H10BrF3N4O2 MolecularWeight: 439.18611

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC(=NN1C2=NC=CC(=N2)OC3=CC(=CC=C3)Br)C(F)(F)F

Isomeric SMILES

C#CCOC1=CC(=NN1C2=NC=CC(=N2)OC3=CC(=CC=C3)Br)C(F)(F)F

InChI

InChI=1S/C17H10BrF3N4O2/c1-2-8-26-15-10-13(17(19,20)21)24-25(15)16-22-7-6-14(23-16)27-12-5-3-4-11(18)9-12/h1,3-7,9-10H,8H2