1-[3-(1,3-benzodioxol-5-yl)-5-phenyl-pyrazol-1-yl]ethanone

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-5-phenyl-pyrazol-1-yl]ethanone Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-5-phenyl-pyrazol-1-yl]ethanone CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1-pyrazolyl]ethanone IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-5-phenylpyrazol-1-yl]ethanone Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-5-phenyl-pyrazol-1-yl]ethanone Formula: C18H14N2O3 MolecularWeight: 306.31536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N2O3/c1-12(21)20-16(13-5-3-2-4-6-13)10-15(19-20)14-7-8-17-18(9-14)23-11-22-17/h2-10H,11H2,1H3