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

Systemtic Name: 4-(4-methylphenoxy)-2-[5-prop-2-ynoxy-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine Openeye Name: 4-(4-methylphenoxy)-2-[5-prop-2-ynoxy-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine CAS Name: 4-(4-methylphenoxy)-2-[5-prop-2-ynoxy-3-(trifluoromethyl)-1-pyrazolyl]pyrimidine IUPAC Name: 4-(4-methylphenoxy)-2-[5-prop-2-ynoxy-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine Traditional Name: 4-(4-methylphenoxy)-2-[5-propargyloxy-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine Formula: C18H13F3N4O2 MolecularWeight: 374.31663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC(=NC=C2)N3C(=CC(=N3)C(F)(F)F)OCC#C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC(=NC=C2)N3C(=CC(=N3)C(F)(F)F)OCC#C

InChI

InChI=1S/C18H13F3N4O2/c1-3-10-26-16-11-14(18(19,20)21)24-25(16)17-22-9-8-15(23-17)27-13-6-4-12(2)5-7-13/h1,4-9,11H,10H2,2H3