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

Systemtic Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]quinazoline-2,4-dione Openeye Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]quinazoline-2,4-dione CAS Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]quinazoline-2,4-dione IUPAC Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]quinazoline-2,4-dione Traditional Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]quinazoline-2,4-quinone Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C4=CC=CC=C4C(=O)NC3=O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C4=CC=CC=C4C(=O)NC3=O)OC

InChI

InChI=1S/C21H21N3O5/c1-28-17-9-13-7-8-23(11-14(13)10-18(17)29-2)19(25)12-24-16-6-4-3-5-15(16)20(26)22-21(24)27/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,26,27)