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

Systemtic Name: 3-methyl-2-(2-methylpropanoyl)-1-propan-2-yl-isoquinoline-1-carbonitrile Openeye Name: 1-isopropyl-3-methyl-2-(2-methylpropanoyl)isoquinoline-1-carbonitrile CAS Name: 3-methyl-2-(2-methyl-1-oxopropyl)-1-propan-2-yl-1-isoquinolinecarbonitrile IUPAC Name: 3-methyl-2-(2-methylpropanoyl)-1-propan-2-ylisoquinoline-1-carbonitrile Traditional Name: 2-isobutyryl-1-isopropyl-3-methyl-isoquinoline-1-carbonitrile Formula: C18H22N2O MolecularWeight: 282.38008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O/c1-12(2)17(21)20-14(5)10-15-8-6-7-9-16(15)18(20,11-19)13(3)4/h6-10,12-13H,1-5H3