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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]oxyhexan-1-ol Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]oxyhexan-1-ol CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]oxy]-1-hexanol IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]oxyhexan-1-ol Traditional Name: 6-[6-chloro-4-(piperonylamino)quinazolin-2-yl]oxyhexan-1-ol Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4/c23-16-6-7-18-17(12-16)21(26-22(25-18)28-10-4-2-1-3-9-27)24-13-15-5-8-19-20(11-15)30-14-29-19/h5-8,11-12,27H,1-4,9-10,13-14H2,(H,24,25,26)