3-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-1H-quinazoline-2,4-dione CAS Name: 3-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-1H-quinazoline-2,4-quinone Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=O)OC

InChI

InChI=1S/C25H29N3O5/c1-32-21-14-17-11-13-27(16-18(17)15-22(21)33-2)23(29)10-4-3-7-12-28-24(30)19-8-5-6-9-20(19)26-25(28)31/h5-6,8-9,14-15H,3-4,7,10-13,16H2,1-2H3,(H,26,31)