4-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-N-(4-fluorobenzyl)-2-phenyl-pyrimidine-5-carboxamide Formula: C25H18FN3O4 MolecularWeight: 443.426523

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC3=NC(=NC=C3C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC3=NC(=NC=C3C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C25H18FN3O4/c26-18-8-6-16(7-9-18)13-28-24(30)20-14-27-23(17-4-2-1-3-5-17)29-25(20)33-19-10-11-21-22(12-19)32-15-31-21/h1-12,14H,13,15H2,(H,28,30)