N-[6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidin-4-yl]cyclopropanecarboxamide

Systemtic Name: N-[6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidin-4-yl]cyclopropanecarboxamide Openeye Name: N-[6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidin-4-yl]cyclopropanecarboxamide CAS Name: N-[6-(1,3-benzodioxol-5-yl)-2-phenyl-4-pyrimidinyl]cyclopropanecarboxamide IUPAC Name: N-[6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-yl]cyclopropanecarboxamide Traditional Name: N-[6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidin-4-yl]cyclopropanecarboxamide Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC(=NC(=C2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)NC2=NC(=NC(=C2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H17N3O3/c25-21(14-6-7-14)24-19-11-16(15-8-9-17-18(10-15)27-12-26-17)22-20(23-19)13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,22,23,24,25)