N-[3-(1,3-benzodioxol-4-yl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)ethanamide

Systemtic Name: N-[3-(1,3-benzodioxol-4-yl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)ethanamide Openeye Name: N-[3-(1,3-benzodioxol-4-yl)-4-pyrimidin-4-yl-isoxazol-5-yl]-2-(2-chlorophenyl)acetamide CAS Name: N-[3-(1,3-benzodioxol-4-yl)-4-(4-pyrimidinyl)-5-isoxazolyl]-2-(2-chlorophenyl)acetamide IUPAC Name: N-[3-(1,3-benzodioxol-4-yl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide Traditional Name: N-[3-(1,3-benzodioxol-4-yl)-4-(4-pyrimidyl)isoxazol-5-yl]-2-(2-chlorophenyl)acetamide Formula: C22H15ClN4O4 MolecularWeight: 434.8319

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C3=NOC(=C3C4=NC=NC=C4)NC(=O)CC5=CC=CC=C5Cl

Isomeric SMILES

C1OC2=CC=CC(=C2O1)C3=NOC(=C3C4=NC=NC=C4)NC(=O)CC5=CC=CC=C5Cl

InChI

InChI=1S/C22H15ClN4O4/c23-15-6-2-1-4-13(15)10-18(28)26-22-19(16-8-9-24-11-25-16)20(27-31-22)14-5-3-7-17-21(14)30-12-29-17/h1-9,11H,10,12H2,(H,26,28)