4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl]methyl]benzonitrile CAS Name: 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl]methyl]benzonitrile IUPAC Name: 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl]methyl]benzonitrile Traditional Name: 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,4-diketo-3-methyl-1H-pyrimidin-5-yl]methyl]benzonitrile Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NC1=O)N2CCC3=CC=CC=C3C2)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C(=O)C(=C(NC1=O)N2CCC3=CC=CC=C3C2)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H20N4O2/c1-25-21(27)19(12-15-6-8-16(13-23)9-7-15)20(24-22(25)28)26-11-10-17-4-2-3-5-18(17)14-26/h2-9H,10-12,14H2,1H3,(H,24,28)