2-ethanoyl-1-methyl-isoquinoline-1-carbonitrile

Systemtic Name: 2-ethanoyl-1-methyl-isoquinoline-1-carbonitrile Openeye Name: 2-acetyl-1-methyl-isoquinoline-1-carbonitrile CAS Name: 2-acetyl-1-methyl-1-isoquinolinecarbonitrile IUPAC Name: 2-acetyl-1-methylisoquinoline-1-carbonitrile Traditional Name: 2-acetyl-1-methyl-isoquinoline-1-carbonitrile Formula: C13H12N2O MolecularWeight: 212.24718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1(C)C#N

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1(C)C#N

InChI

InChI=1S/C13H12N2O/c1-10(16)15-8-7-11-5-3-4-6-12(11)13(15,2)9-14/h3-8H,1-2H3