4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]oxybutan-1-ol

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]oxybutan-1-ol Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]oxybutan-1-ol CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]oxy]-1-butanol IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]oxybutan-1-ol Traditional Name: 4-[6-chloro-4-(piperonylamino)quinazolin-2-yl]oxybutan-1-ol Formula: C20H20ClN3O4 MolecularWeight: 401.8435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)OCCCCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)OCCCCO

InChI

InChI=1S/C20H20ClN3O4/c21-14-4-5-16-15(10-14)19(24-20(23-16)26-8-2-1-7-25)22-11-13-3-6-17-18(9-13)28-12-27-17/h3-6,9-10,25H,1-2,7-8,11-12H2,(H,22,23,24)