2-[2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]ethanenitrile

Systemtic Name: 2-[2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]ethanenitrile Openeye Name: 2-[2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetonitrile CAS Name: 2-[2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetonitrile IUPAC Name: 2-[2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetonitrile Traditional Name: 2-[2-(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetonitrile Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)N3CCC4=C(C3)C=CC=C4CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)N3CCC4=C(C3)C=CC=C4CC#N)OC

InChI

InChI=1S/C21H20N4O3/c1-27-18-10-16-17(11-19(18)28-2)23-21(24-20(16)26)25-9-7-15-13(6-8-22)4-3-5-14(15)12-25/h3-5,10-11H,6-7,9,12H2,1-2H3,(H,23,24,26)