4-(1,3-benzodioxol-5-yloxy)-N-(4-fluorophenyl)-2-(4-methylphenyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-fluorophenyl)-2-(4-methylphenyl)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-fluorophenyl)-2-(p-tolyl)pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-fluorophenyl)-2-(4-methylphenyl)pyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-fluorophenyl)-2-(p-tolyl)pyrimidine-5-carboxamide Formula: C25H18FN3O4 MolecularWeight: 443.426523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=C(C(=N2)OC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C(=N2)OC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C25H18FN3O4/c1-15-2-4-16(5-3-15)23-27-13-20(24(30)28-18-8-6-17(26)7-9-18)25(29-23)33-19-10-11-21-22(12-19)32-14-31-21/h2-13H,14H2,1H3,(H,28,30)