(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-(3-oxidanylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-(3-oxidanylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-(3-hydroxy-1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-(3-hydroxy-1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-(3-hydroxypiperidino)prop-2-en-1-one Formula: C13H18ClN3O2 MolecularWeight: 283.75392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCC(C2)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCCC(C2)O)Cl)C

InChI

InChI=1S/C13H18ClN3O2/c1-9-11(13(14)16(2)15-9)5-6-12(19)17-7-3-4-10(18)8-17/h5-6,10,18H,3-4,7-8H2,1-2H3/b6-5+