2-[[2-methoxy-5-(4-oxidanylidene-3-propyl-1,2-dihydroquinazolin-2-yl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-methoxy-5-(4-oxidanylidene-3-propyl-1,2-dihydroquinazolin-2-yl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-methoxy-5-(4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-methoxy-5-(4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-methoxy-5-(4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[5-(4-keto-3-propyl-1,2-dihydroquinazolin-2-yl)-2-methoxy-benzyl]isoindoline-1,3-quinone Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H25N3O4/c1-3-14-29-24(28-22-11-7-6-10-21(22)27(29)33)17-12-13-23(34-2)18(15-17)16-30-25(31)19-8-4-5-9-20(19)26(30)32/h4-13,15,24,28H,3,14,16H2,1-2H3