2-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloranyl-quinazolin-2-yl]oxymethyl]phenol

Systemtic Name: 2-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloranyl-quinazolin-2-yl]oxymethyl]phenol Openeye Name: 2-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloro-quinazolin-2-yl]oxymethyl]phenol CAS Name: 2-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloro-2-quinazolinyl]oxymethyl]phenol IUPAC Name: 2-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloroquinazolin-2-yl]oxymethyl]phenol Traditional Name: 2-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloro-quinazolin-2-yl]oxymethyl]phenol Formula: C23H18ClN3O4 MolecularWeight: 435.85972

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)OCC5=CC=CC=C5O)OO1

Isomeric SMILES

C1C2=C(C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)OCC5=CC=CC=C5O)OO1

InChI

InChI=1S/C23H18ClN3O4/c24-17-7-8-19-18(10-17)22(25-11-14-5-6-16-13-30-31-21(16)9-14)27-23(26-19)29-12-15-3-1-2-4-20(15)28/h1-10,28H,11-13H2,(H,25,26,27)