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

Systemtic Name: 4-[(E)-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[3-(hydroxymethyl)-1-piperidyl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[3-(hydroxymethyl)-1-piperidinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(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=C(C=C2)C#N)CO

Isomeric SMILES

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

InChI

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