2-[6,7-dimethoxy-1-[(E)-4-oxidanylidenebut-2-enyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile

Systemtic Name: 2-[6,7-dimethoxy-1-[(E)-4-oxidanylidenebut-2-enyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile Openeye Name: 2-[6,7-dimethoxy-1-[(E)-4-oxobut-2-enyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile CAS Name: 2-[6,7-dimethoxy-1-[(E)-4-oxobut-2-enyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile IUPAC Name: 2-[6,7-dimethoxy-1-[(E)-4-oxobut-2-enyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile Traditional Name: 2-[1-[(E)-4-ketobut-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]valeronitrile Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)N1CCC2=CC(=C(C=C2C1CC=CC=O)OC)OC

Isomeric SMILES

CCCC(C#N)N1CCC2=CC(=C(C=C2C1C/C=C/C=O)OC)OC

InChI

InChI=1S/C20H26N2O3/c1-4-7-16(14-21)22-10-9-15-12-19(24-2)20(25-3)13-17(15)18(22)8-5-6-11-23/h5-6,11-13,16,18H,4,7-10H2,1-3H3/b6-5+