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

Systemtic Name: 2-[[3-[2-(3,4-diethoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-quinazolin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-2-quinazolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[2-(3,4-diethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[3-[2-(3,4-diethoxyphenyl)ethyl]-4-keto-quinazolin-2-yl]methyl]isoindoline-1,3-quinone Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O)OCC

InChI

InChI=1S/C29H27N3O5/c1-3-36-24-14-13-19(17-25(24)37-4-2)15-16-31-26(30-23-12-8-7-11-22(23)29(31)35)18-32-27(33)20-9-5-6-10-21(20)28(32)34/h5-14,17H,3-4,15-16,18H2,1-2H3