methyl 3-[6-(1,3-benzodioxol-5-ylmethylamino)-6-oxidanylidene-hexyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[6-(1,3-benzodioxol-5-ylmethylamino)-6-oxidanylidene-hexyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[6-(1,3-benzodioxol-5-ylmethylamino)-6-oxo-hexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[6-(1,3-benzodioxol-5-ylmethylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[6-(1,3-benzodioxol-5-ylmethylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 2,4-diketo-3-[6-keto-6-(piperonylamino)hexyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H25N3O7 MolecularWeight: 467.4712

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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)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H25N3O7/c1-32-23(30)16-7-8-17-18(12-16)26-24(31)27(22(17)29)10-4-2-3-5-21(28)25-13-15-6-9-19-20(11-15)34-14-33-19/h6-9,11-12H,2-5,10,13-14H2,1H3,(H,25,28)(H,26,31)