2-[[4-oxidanylidene-3-[(2-phenylquinazolin-4-yl)amino]quinazolin-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-oxidanylidene-3-[(2-phenylquinazolin-4-yl)amino]quinazolin-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-oxo-3-[(2-phenylquinazolin-4-yl)amino]quinazolin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-oxo-3-[(2-phenyl-4-quinazolinyl)amino]-2-quinazolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-oxo-3-[(2-phenylquinazolin-4-yl)amino]quinazolin-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-keto-3-[(2-phenylquinazolin-4-yl)amino]quinazolin-2-yl]methyl]isoindoline-1,3-quinone Formula: C31H20N6O3 MolecularWeight: 524.5289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN4C(=NC5=CC=CC=C5C4=O)CN6C(=O)C7=CC=CC=C7C6=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN4C(=NC5=CC=CC=C5C4=O)CN6C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C31H20N6O3/c38-29-20-12-4-5-13-21(20)30(39)36(29)18-26-32-25-17-9-7-15-23(25)31(40)37(26)35-28-22-14-6-8-16-24(22)33-27(34-28)19-10-2-1-3-11-19/h1-17H,18H2,(H,33,34,35)