5-(3-fluoranyl-2-oxidanyl-phenyl)-6-methyl-2,4-diphenethyl-pyridazin-3-one

Systemtic Name: 5-(3-fluoranyl-2-oxidanyl-phenyl)-6-methyl-2,4-diphenethyl-pyridazin-3-one Openeye Name: 5-(3-fluoro-2-hydroxy-phenyl)-6-methyl-2,4-diphenethyl-pyridazin-3-one CAS Name: 5-(3-fluoro-2-hydroxyphenyl)-6-methyl-2,4-diphenethyl-3-pyridazinone IUPAC Name: 5-(3-fluoro-2-hydroxyphenyl)-6-methyl-2,4-diphenethylpyridazin-3-one Traditional Name: 5-(3-fluoro-2-hydroxy-phenyl)-6-methyl-2,4-diphenethyl-pyridazin-3-one Formula: C27H25FN2O2 MolecularWeight: 428.498003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C(=C1C2=C(C(=CC=C2)F)O)CCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C(=C1C2=C(C(=CC=C2)F)O)CCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H25FN2O2/c1-19-25(22-13-8-14-24(28)26(22)31)23(16-15-20-9-4-2-5-10-20)27(32)30(29-19)18-17-21-11-6-3-7-12-21/h2-14,31H,15-18H2,1H3