2-[[3-[3-(dimethylaminomethyl)-4-oxidanyl-phenyl]-4-oxidanylidene-quinazolin-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[3-(dimethylaminomethyl)-4-oxidanyl-phenyl]-4-oxidanylidene-quinazolin-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[3-(dimethylaminomethyl)-4-hydroxy-phenyl]-4-oxo-quinazolin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[3-(dimethylaminomethyl)-4-hydroxyphenyl]-4-oxo-2-quinazolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[3-(dimethylaminomethyl)-4-hydroxyphenyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[3-[3-(dimethylaminomethyl)-4-hydroxy-phenyl]-4-keto-quinazolin-2-yl]methyl]isoindoline-1,3-quinone Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C26H22N4O4/c1-28(2)14-16-13-17(11-12-22(16)31)30-23(27-21-10-6-5-9-20(21)26(30)34)15-29-24(32)18-7-3-4-8-19(18)25(29)33/h3-13,31H,14-15H2,1-2H3