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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CC(=C2)C#N)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC=CC(=C2)C#N)CO

InChI

InChI=1S/C16H18N2O2/c17-10-14-4-1-3-13(9-14)6-7-16(20)18-8-2-5-15(11-18)12-19/h1,3-4,6-7,9,15,19H,2,5,8,11-12H2/b7-6+