2-ethanoyl-1-ethyl-isoquinoline-1-carbonitrile

Systemtic Name: 2-ethanoyl-1-ethyl-isoquinoline-1-carbonitrile Openeye Name: 2-acetyl-1-ethyl-isoquinoline-1-carbonitrile CAS Name: 2-acetyl-1-ethyl-1-isoquinolinecarbonitrile IUPAC Name: 2-acetyl-1-ethylisoquinoline-1-carbonitrile Traditional Name: 2-acetyl-1-ethyl-isoquinoline-1-carbonitrile Formula: C14H14N2O MolecularWeight: 226.27376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C=CN1C(=O)C)C#N

Isomeric SMILES

CCC1(C2=CC=CC=C2C=CN1C(=O)C)C#N

InChI

InChI=1S/C14H14N2O/c1-3-14(10-15)13-7-5-4-6-12(13)8-9-16(14)11(2)17/h4-9H,3H2,1-2H3