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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanenitrile Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanenitrile CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanenitrile IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanenitrile Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionitrile Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H20N2O4/c1-3-27-19-12-15(8-9-18(19)26-2)17(10-11-22)23-20(24)13-14-6-4-5-7-16(14)21(23)25/h4-9,12,17H,3,10,13H2,1-2H3