3-[[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-amino]methyl]benzonitrile CAS Name: 3-[[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]methyl]benzonitrile IUPAC Name: 3-[[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]methyl]benzonitrile Traditional Name: 3-[[ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]amino]methyl]benzonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC(=C1)C#N)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CCN(CC1=CC=CC(=C1)C#N)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C21H22N4O3/c1-4-25(12-15-7-5-6-14(8-15)11-22)13-20-23-17-10-19(28-3)18(27-2)9-16(17)21(26)24-20/h5-10H,4,12-13H2,1-3H3,(H,23,24,26)