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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-5-cyano-6-phenyl-pyrimidin-2-yl]cyclopentanecarboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-5-cyano-6-phenyl-pyrimidin-2-yl]cyclopentanecarboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-5-cyano-6-phenyl-2-pyrimidinyl]cyclopentanecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-5-cyano-6-phenylpyrimidin-2-yl]cyclopentanecarboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-5-cyano-6-phenyl-pyrimidin-2-yl]cyclopentanecarboxamide Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=NC(=C(C(=N2)C3=CC4=C(C=C3)OCO4)C#N)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C(=O)NC2=NC(=C(C(=N2)C3=CC4=C(C=C3)OCO4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C24H20N4O3/c25-13-18-21(15-6-2-1-3-7-15)26-24(28-23(29)16-8-4-5-9-16)27-22(18)17-10-11-19-20(12-17)31-14-30-19/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)