5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(phenylmethyl)pyrazol-3-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(phenylmethyl)pyrazol-3-yl]-1,2-oxazole-3-carboxamide Openeye Name: N-(2-benzylpyrazol-3-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazole-3-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(phenylmethyl)-3-pyrazolyl]-3-isoxazolecarboxamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide Traditional Name: N-(2-benzylpyrazol-3-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazole-3-carboxamide Formula: C22H18N4O4 MolecularWeight: 402.40272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)NC4=CC=NN4CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)NC4=CC=NN4CC5=CC=CC=C5

InChI

InChI=1S/C22H18N4O4/c27-22(24-21-8-9-23-26(21)14-15-4-2-1-3-5-15)17-13-19(30-25-17)16-6-7-18-20(12-16)29-11-10-28-18/h1-9,12-13H,10-11,14H2,(H,24,27)