2-(3-methylbut-2-enoyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(3-methylbut-2-enoyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(3-methylbut-2-enoyl)-1H-isoquinoline-1-carbonitrile CAS Name: 2-(3-methyl-1-oxobut-2-enyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(3-methylbut-2-enoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(3-methylbut-2-enoyl)-1H-isoquinoline-1-carbonitrile Formula: C15H14N2O MolecularWeight: 238.28446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1C=CC2=CC=CC=C2C1C#N)C

Isomeric SMILES

CC(=CC(=O)N1C=CC2=CC=CC=C2C1C#N)C

InChI

InChI=1S/C15H14N2O/c1-11(2)9-15(18)17-8-7-12-5-3-4-6-13(12)14(17)10-16/h3-9,14H,1-2H3