2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(1,2,5-trimethyl-3-pyrrolyl)-2-propenenitrile IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(1,2,5-trimethylpyrrol-3-yl)acrylonitrile Formula: C20H21N3O MolecularWeight: 319.40024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C=C(C#N)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=C(N1C)C)C=C(C#N)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H21N3O/c1-14-10-18(15(2)22(14)3)11-19(12-21)20(24)23-9-8-16-6-4-5-7-17(16)13-23/h4-7,10-11H,8-9,13H2,1-3H3