(E)-1-(azetidin-1-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(azetidin-1-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(azetidin-1-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(1-azetidinyl)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(azetidin-1-yl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one Traditional Name: (E)-1-(azetidin-1-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Formula: C22H21N3O2 MolecularWeight: 359.42104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)N3CCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)N3CCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2/c1-27-20-11-8-17(9-12-20)22-18(10-13-21(26)24-14-5-15-24)16-25(23-22)19-6-3-2-4-7-19/h2-4,6-13,16H,5,14-15H2,1H3/b13-10+