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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-3-(4-methoxy-3-propoxy-phenyl)propanenitrile Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-3-(4-methoxy-3-propoxy-phenyl)propanenitrile CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-3-(4-methoxy-3-propoxyphenyl)propanenitrile IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-3-(4-methoxy-3-propoxyphenyl)propanenitrile Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-3-(4-methoxy-3-propoxy-phenyl)propionitrile Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C22H22N2O4/c1-3-12-28-20-13-16(8-9-19(20)27-2)18(10-11-23)24-21(25)14-15-6-4-5-7-17(15)22(24)26/h4-9,13,18H,3,10,12,14H2,1-2H3