3-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloranyl-2-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloranyl-2-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-hydroxy-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-(5-chloro-2-hydroxy-phenyl)-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C22H17ClN2O4 MolecularWeight: 408.83438

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=C(C=CC(=C5)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O4/c23-14-6-7-18(26)16(10-14)21-24-17-4-2-1-3-15(17)22(27)25(21)11-13-5-8-19-20(9-13)29-12-28-19/h1-10,21,24,26H,11-12H2