4-(1,3-benzodioxol-5-yloxy)-2-phenyl-N-(1-phenylethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-2-phenyl-N-(1-phenylethyl)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-2-phenyl-N-(1-phenylethyl)pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-2-phenyl-N-(1-phenylethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-2-phenyl-N-(1-phenylethyl)pyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-2-phenyl-N-(1-phenylethyl)pyrimidine-5-carboxamide Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CN=C(N=C2OC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CN=C(N=C2OC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4/c1-17(18-8-4-2-5-9-18)28-25(30)21-15-27-24(19-10-6-3-7-11-19)29-26(21)33-20-12-13-22-23(14-20)32-16-31-22/h2-15,17H,16H2,1H3,(H,28,30)