3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-3-(3,4-dimethoxyphenyl)propanenitrile

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-3-(3,4-dimethoxyphenyl)propanenitrile Openeye Name: 3-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanenitrile CAS Name: 3-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanenitrile IUPAC Name: 3-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanenitrile Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-3-(3,4-dimethoxyphenyl)propionitrile Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC#N)N2C(=O)CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC#N)N2C(=O)CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C20H18N2O4/c1-25-17-8-7-14(11-18(17)26-2)16(9-10-21)22-19(23)12-13-5-3-4-6-15(13)20(22)24/h3-8,11,16H,9,12H2,1-2H3