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

Systemtic Name: 1-methyl-2-[(1Z)-1-oxidanylbuta-1,3-dienyl]isoquinoline-1-carbonitrile Openeye Name: 2-[(1Z)-1-hydroxybuta-1,3-dienyl]-1-methyl-isoquinoline-1-carbonitrile CAS Name: 2-[(1Z)-1-hydroxybuta-1,3-dienyl]-1-methyl-1-isoquinolinecarbonitrile IUPAC Name: 2-[(1Z)-1-hydroxybuta-1,3-dienyl]-1-methylisoquinoline-1-carbonitrile Traditional Name: 2-[(1Z)-1-hydroxybuta-1,3-dienyl]-1-methyl-isoquinoline-1-carbonitrile Formula: C15H14N2O MolecularWeight: 238.28446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(C2=CC=CC=C2C=CN1/C(=C/C=C)/O)C#N

InChI

InChI=1S/C15H14N2O/c1-3-6-14(18)17-10-9-12-7-4-5-8-13(12)15(17,2)11-16/h3-10,18H,1H2,2H3/b14-6-