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

Systemtic Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-1H-quinazoline-2,4-dione CAS Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-1H-quinazoline-2,4-quinone Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H25N3O3/c27-21(25-15-13-17-8-3-4-9-18(17)16-25)12-2-1-7-14-26-22(28)19-10-5-6-11-20(19)24-23(26)29/h3-6,8-11H,1-2,7,12-16H2,(H,24,29)