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

Systemtic Name: 1-ethyl-2-(3-methylbut-2-enoyl)isoquinoline-1-carbonitrile Openeye Name: 1-ethyl-2-(3-methylbut-2-enoyl)isoquinoline-1-carbonitrile CAS Name: 1-ethyl-2-(3-methyl-1-oxobut-2-enyl)-1-isoquinolinecarbonitrile IUPAC Name: 1-ethyl-2-(3-methylbut-2-enoyl)isoquinoline-1-carbonitrile Traditional Name: 1-ethyl-2-(3-methylbut-2-enoyl)isoquinoline-1-carbonitrile Formula: C17H18N2O MolecularWeight: 266.33762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C=CN1C(=O)C=C(C)C)C#N

Isomeric SMILES

CCC1(C2=CC=CC=C2C=CN1C(=O)C=C(C)C)C#N

InChI

InChI=1S/C17H18N2O/c1-4-17(12-18)15-8-6-5-7-14(15)9-10-19(17)16(20)11-13(2)3/h5-11H,4H2,1-3H3