2-[[[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-ethyl-amino]methyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-ethyl-amino]methyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-ethyl-amino]methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-ethylamino]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-ethylamino]methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[ethyl-(2-hydroxy-3-piperonyloxy-propyl)amino]methyl]-1H-quinazolin-4-one Formula: C22H24ClN3O5 MolecularWeight: 445.89606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H24ClN3O5/c1-2-26(10-21-24-18-8-15(23)4-5-17(18)22(28)25-21)9-16(27)12-29-11-14-3-6-19-20(7-14)31-13-30-19/h3-8,16,27H,2,9-13H2,1H3,(H,24,25,28)