2-(2-methylpropanoyl)-1-propan-2-yl-isoquinoline-1-carbonitrile

Systemtic Name: 2-(2-methylpropanoyl)-1-propan-2-yl-isoquinoline-1-carbonitrile Openeye Name: 1-isopropyl-2-(2-methylpropanoyl)isoquinoline-1-carbonitrile CAS Name: 2-(2-methyl-1-oxopropyl)-1-propan-2-yl-1-isoquinolinecarbonitrile IUPAC Name: 2-(2-methylpropanoyl)-1-propan-2-ylisoquinoline-1-carbonitrile Traditional Name: 2-isobutyryl-1-isopropyl-isoquinoline-1-carbonitrile Formula: C17H20N2O MolecularWeight: 268.3535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O/c1-12(2)16(20)19-10-9-14-7-5-6-8-15(14)17(19,11-18)13(3)4/h5-10,12-13H,1-4H3