N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-piperonylamide Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C24H20N4O5/c1-30-20-10-17-18(11-21(20)31-2)25-12-26-23(17)27-15-4-6-16(7-5-15)28-24(29)14-3-8-19-22(9-14)33-13-32-19/h3-12H,13H2,1-2H3,(H,28,29)(H,25,26,27)