2-[3-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[3-[3-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]prop-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-ynyl]isoindoline-1,3-quinone Formula: C27H20N4O4 MolecularWeight: 464.4721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#CCN4C(=O)C5=CC=CC=C5C4=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#CCN4C(=O)C5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C27H20N4O4/c1-34-23-14-21-22(15-24(23)35-2)28-16-29-25(21)30-18-9-5-7-17(13-18)8-6-12-31-26(32)19-10-3-4-11-20(19)27(31)33/h3-5,7,9-11,13-16H,12H2,1-2H3,(H,28,29,30)