(E)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(4-methoxy-2,5-dimethyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(4-methoxy-2,5-dimethyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(4-methoxy-2,5-dimethyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(4-methoxy-2,5-dimethylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(4-methoxy-2,5-dimethylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(4-methoxy-2,5-dimethyl-phenyl)acrylonitrile Formula: C22H22N2O2 MolecularWeight: 346.42228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)N2CCC3=CC=CC=C3C2)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C3C2)C)OC

InChI

InChI=1S/C22H22N2O2/c1-15-11-21(26-3)16(2)10-19(15)12-20(13-23)22(25)24-9-8-17-6-4-5-7-18(17)14-24/h4-7,10-12H,8-9,14H2,1-3H3/b20-12+