methyl 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H27N3O5/c1-33-24(31)18-10-11-20-21(15-18)26-25(32)28(23(20)30)13-6-2-3-9-22(29)27-14-12-17-7-4-5-8-19(17)16-27/h4-5,7-8,10-11,15H,2-3,6,9,12-14,16H2,1H3,(H,26,32)