2-ethanoyl-1-(2-methylpropyl)isoquinoline-1-carbonitrile

Systemtic Name: 2-ethanoyl-1-(2-methylpropyl)isoquinoline-1-carbonitrile Openeye Name: 2-acetyl-1-isobutyl-isoquinoline-1-carbonitrile CAS Name: 2-acetyl-1-(2-methylpropyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-acetyl-1-(2-methylpropyl)isoquinoline-1-carbonitrile Traditional Name: 2-acetyl-1-isobutyl-isoquinoline-1-carbonitrile Formula: C16H18N2O MolecularWeight: 254.32692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C2=CC=CC=C2C=CN1C(=O)C)C#N

Isomeric SMILES

CC(C)CC1(C2=CC=CC=C2C=CN1C(=O)C)C#N

InChI

InChI=1S/C16H18N2O/c1-12(2)10-16(11-17)15-7-5-4-6-14(15)8-9-18(16)13(3)19/h4-9,12H,10H2,1-3H3