1-methyl-2-(3-methylbut-2-enoyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-methyl-2-(3-methylbut-2-enoyl)isoquinoline-1-carbonitrile Openeye Name: 1-methyl-2-(3-methylbut-2-enoyl)isoquinoline-1-carbonitrile CAS Name: 1-methyl-2-(3-methyl-1-oxobut-2-enyl)-1-isoquinolinecarbonitrile IUPAC Name: 1-methyl-2-(3-methylbut-2-enoyl)isoquinoline-1-carbonitrile Traditional Name: 1-methyl-2-(3-methylbut-2-enoyl)isoquinoline-1-carbonitrile Formula: C16H16N2O MolecularWeight: 252.31104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O/c1-12(2)10-15(19)18-9-8-13-6-4-5-7-14(13)16(18,3)11-17/h4-10H,1-3H3