3-[(E)-3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-[2-(hydroxymethyl)-1-piperidyl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 3-[(E)-3-[2-(hydroxymethyl)-1-piperidinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 3-[(E)-3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 3-[(E)-3-keto-3-(2-methylolpiperidino)prop-1-enyl]benzonitrile Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C(=O)C=CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCN(C(C1)CO)C(=O)/C=C/C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H18N2O2/c17-11-14-5-3-4-13(10-14)7-8-16(20)18-9-2-1-6-15(18)12-19/h3-5,7-8,10,15,19H,1-2,6,9,12H2/b8-7+