3-methyl-2-(2-methylpropanoyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 3-methyl-2-(2-methylpropanoyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 3-methyl-2-(2-methylpropanoyl)-1H-isoquinoline-1-carbonitrile CAS Name: 3-methyl-2-(2-methyl-1-oxopropyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: 3-methyl-2-(2-methylpropanoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-isobutyryl-3-methyl-1H-isoquinoline-1-carbonitrile Formula: C15H16N2O MolecularWeight: 240.30034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O/c1-10(2)15(18)17-11(3)8-12-6-4-5-7-13(12)14(17)9-16/h4-8,10,14H,1-3H3