2-[(E)-but-2-enoyl]-1-ethyl-isoquinoline-1-carbonitrile

Systemtic Name: 2-[(E)-but-2-enoyl]-1-ethyl-isoquinoline-1-carbonitrile Openeye Name: 2-[(E)-but-2-enoyl]-1-ethyl-isoquinoline-1-carbonitrile CAS Name: 1-ethyl-2-[(E)-1-oxobut-2-enyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-[(E)-but-2-enoyl]-1-ethylisoquinoline-1-carbonitrile Traditional Name: 2-[(E)-but-2-enoyl]-1-ethyl-isoquinoline-1-carbonitrile Formula: C16H16N2O MolecularWeight: 252.31104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O/c1-3-7-15(19)18-11-10-13-8-5-6-9-14(13)16(18,4-2)12-17/h3,5-11H,4H2,1-2H3/b7-3+