(E)-3-(1-methylpyrazol-4-yl)-1-(3-oxidanylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-1-(3-oxidanylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(3-hydroxy-1-piperidyl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(3-hydroxy-1-piperidinyl)-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(3-hydroxypiperidin-1-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(3-hydroxypiperidino)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C12H17N3O2 MolecularWeight: 235.28228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-14-8-10(7-13-14)4-5-12(17)15-6-2-3-11(16)9-15/h4-5,7-8,11,16H,2-3,6,9H2,1H3/b5-4+