(E)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[3-(hydroxymethyl)-1-piperidyl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[3-(hydroxymethyl)-1-piperidinyl]-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(3-methylolpiperidino)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C13H19N3O2 MolecularWeight: 249.30886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCCC(C2)CO

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCCC(C2)CO

InChI

InChI=1S/C13H19N3O2/c1-15-8-11(7-14-15)4-5-13(18)16-6-2-3-12(9-16)10-17/h4-5,7-8,12,17H,2-3,6,9-10H2,1H3/b5-4+