(2Z)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-[(4-ethanoylphenyl)hydrazinylidene]ethanenitrile

Systemtic Name: (2Z)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-[(4-ethanoylphenyl)hydrazinylidene]ethanenitrile Openeye Name: (1Z)-N-(4-acetylanilino)-3,3-dimethyl-4H-isoquinoline-1-carboximidoyl cyanide CAS Name: (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetonitrile IUPAC Name: (1Z)-N-(4-acetylanilino)-3,3-dimethyl-4H-isoquinoline-1-carboximidoyl cyanide Traditional Name: (2Z)-2-[(4-acetylphenyl)hydrazono]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetonitrile Formula: C21H20N4O MolecularWeight: 344.4097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NN=C(C#N)C2=NC(CC3=CC=CC=C32)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N/N=C(\C#N)/C2=NC(CC3=CC=CC=C32)(C)C

InChI

InChI=1S/C21H20N4O/c1-14(26)15-8-10-17(11-9-15)24-25-19(13-22)20-18-7-5-4-6-16(18)12-21(2,3)23-20/h4-11,24H,12H2,1-3H3/b25-19+