(E)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(4-dimethylaminophenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(4-dimethylaminophenyl)prop-2-enenitrile Openeye Name: (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(4-dimethylaminophenyl)prop-2-enenitrile CAS Name: (E)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(4-dimethylaminophenyl)-2-propenenitrile IUPAC Name: (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(4-dimethylaminophenyl)prop-2-enenitrile Traditional Name: (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(4-dimethylaminophenyl)acrylonitrile Formula: C21H21N3O MolecularWeight: 331.41094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c1-23(2)20-9-7-16(8-10-20)13-19(14-22)21(25)24-12-11-17-5-3-4-6-18(17)15-24/h3-10,13H,11-12,15H2,1-2H3/b19-13+