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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)CCCN4C(=O)C5=CC=CC=C5C4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)CCCN4C(=O)C5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C29H27N3O5/c1-36-24-14-13-19(18-25(24)37-2)15-17-31-26(30-23-11-6-5-10-22(23)29(31)35)12-7-16-32-27(33)20-8-3-4-9-21(20)28(32)34/h3-6,8-11,13-14,18H,7,12,15-17H2,1-2H3