(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[4-(1-pyrazolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylphenyl)prop-2-en-1-one Formula: C19H13ClN2O3 MolecularWeight: 352.77112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=CC(=O)C3=CC=C(C=C3)N4C=CC=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/C(=O)C3=CC=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C19H13ClN2O3/c20-16-10-13(11-18-19(16)25-12-24-18)2-7-17(23)14-3-5-15(6-4-14)22-9-1-8-21-22/h1-11H,12H2/b7-2+