1-methyl-2-[(1Z)-3-methyl-1-oxidanyl-buta-1,3-dienyl]isoquinoline-1-carbonitrile

Systemtic Name: 1-methyl-2-[(1Z)-3-methyl-1-oxidanyl-buta-1,3-dienyl]isoquinoline-1-carbonitrile Openeye Name: 2-[(1Z)-1-hydroxy-3-methyl-buta-1,3-dienyl]-1-methyl-isoquinoline-1-carbonitrile CAS Name: 2-[(1Z)-1-hydroxy-3-methylbuta-1,3-dienyl]-1-methyl-1-isoquinolinecarbonitrile IUPAC Name: 2-[(1Z)-1-hydroxy-3-methylbuta-1,3-dienyl]-1-methylisoquinoline-1-carbonitrile Traditional Name: 2-[(1Z)-1-hydroxy-3-methyl-buta-1,3-dienyl]-1-methyl-isoquinoline-1-carbonitrile Formula: C16H16N2O MolecularWeight: 252.31104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-10,19H,1H2,2-3H3/b15-10-