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

Systemtic Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]quinazolin-4-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=NC4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=NC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C21H21N3O4/c1-27-18-9-14-7-8-23(11-15(14)10-19(18)28-2)20(25)12-24-13-22-17-6-4-3-5-16(17)21(24)26/h3-6,9-10,13H,7-8,11-12H2,1-2H3