(E)-1-(2,5-dimethylpyrazol-3-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one Openeye Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one CAS Name: (E)-1-(2,5-dimethyl-3-pyrazolyl)-3-(1H-pyrrol-2-yl)-2-propen-1-one IUPAC Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one Formula: C12H13N3O MolecularWeight: 215.25112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)C=CC2=CC=CN2)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)/C=C/C2=CC=CN2)C

InChI

InChI=1S/C12H13N3O/c1-9-8-11(15(2)14-9)12(16)6-5-10-4-3-7-13-10/h3-8,13H,1-2H3/b6-5+