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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-2-yl]cyclopentanecarboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-2-yl]cyclopentanecarboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyrimidinyl]cyclopentanecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenylpyrimidin-2-yl]cyclopentanecarboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-2-yl]cyclopentanecarboxamide Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3/c27-22(16-8-4-5-9-16)26-23-24-18(15-6-2-1-3-7-15)13-19(25-23)17-10-11-20-21(12-17)29-14-28-20/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,24,25,26,27)