2-ethanoyl-3-methyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-ethanoyl-3-methyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-acetyl-3-methyl-1H-isoquinoline-1-carbonitrile CAS Name: 2-acetyl-3-methyl-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-acetyl-3-methyl-1H-isoquinoline-1-carbonitrile Traditional Name: 2-acetyl-3-methyl-1H-isoquinoline-1-carbonitrile Formula: C13H12N2O MolecularWeight: 212.24718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(N1C(=O)C)C#N

Isomeric SMILES

CC1=CC2=CC=CC=C2C(N1C(=O)C)C#N

InChI

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