3-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyridyl)-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one Traditional Name: 3-piperonyl-2-(4-pyridyl)-1,2-dihydroquinazolin-4-one Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(NC4=CC=CC=C4C3=O)C5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(NC4=CC=CC=C4C3=O)C5=CC=NC=C5

InChI

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