N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-phenylmethoxy-quinazolin-4-amine

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-phenylmethoxy-quinazolin-4-amine Openeye Name: 7-benzyloxy-N-(5-chloro-1,3-benzodioxol-4-yl)-5-tetrahydropyran-4-yloxy-quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(4-oxanyloxy)-7-phenylmethoxy-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-phenylmethoxyquinazolin-4-amine Traditional Name: (7-benzoxy-5-tetrahydropyran-4-yloxy-quinazolin-4-yl)-(5-chloro-1,3-benzodioxol-4-yl)amine Formula: C27H24ClN3O5 MolecularWeight: 505.94956

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1OC2=C3C(=CC(=C2)OCC4=CC=CC=C4)N=CN=C3NC5=C(C=CC6=C5OCO6)Cl

Isomeric SMILES

C1COCCC1OC2=C3C(=CC(=C2)OCC4=CC=CC=C4)N=CN=C3NC5=C(C=CC6=C5OCO6)Cl

InChI

InChI=1S/C27H24ClN3O5/c28-20-6-7-22-26(35-16-34-22)25(20)31-27-24-21(29-15-30-27)12-19(33-14-17-4-2-1-3-5-17)13-23(24)36-18-8-10-32-11-9-18/h1-7,12-13,15,18H,8-11,14,16H2,(H,29,30,31)