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

Systemtic Name: 3-methyl-2-propanoyl-1H-isoquinoline-1-carbonitrile Openeye Name: 3-methyl-2-propanoyl-1H-isoquinoline-1-carbonitrile CAS Name: 3-methyl-2-(1-oxopropyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: 3-methyl-2-propanoyl-1H-isoquinoline-1-carbonitrile Traditional Name: 3-methyl-2-propionyl-1H-isoquinoline-1-carbonitrile Formula: C14H14N2O MolecularWeight: 226.27376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2=CC=CC=C2C=C1C)C#N

Isomeric SMILES

CCC(=O)N1C(C2=CC=CC=C2C=C1C)C#N

InChI

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