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

Systemtic Name: 3-[2-[[2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]imino]pyrrolidin-1-yl]propanenitrile Openeye Name: 3-[2-[[2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]imino]pyrrolidin-1-yl]propanenitrile CAS Name: 3-[2-[[2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]imino]-1-pyrrolidinyl]propanenitrile IUPAC Name: 3-[2-[[2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]imino]pyrrolidin-1-yl]propanenitrile Traditional Name: 3-[2-[[2-(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]imino]pyrrolidino]propionitrile Formula: C26H28N6O3 MolecularWeight: 472.53892

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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=C4N=C5CCCN5CCC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)N3CCC4=C(C3)C=CC=C4N=C5CCCN5CCC#N)OC

InChI

InChI=1S/C26H28N6O3/c1-34-22-14-19-21(15-23(22)35-2)29-26(30-25(19)33)32-13-9-18-17(16-32)6-3-7-20(18)28-24-8-4-11-31(24)12-5-10-27/h3,6-7,14-15H,4-5,8-9,11-13,16H2,1-2H3,(H,29,30,33)