(3S,5R)-3-ethyl-5-methyl-3,5-diphenyl-pyrazol-4-one

Systemtic Name: (3S,5R)-3-ethyl-5-methyl-3,5-diphenyl-pyrazol-4-one Openeye Name: (3S,5R)-3-ethyl-5-methyl-3,5-diphenyl-pyrazol-4-one CAS Name: (3S,5R)-3-ethyl-5-methyl-3,5-diphenyl-4-pyrazolone IUPAC Name: (3S,5R)-3-ethyl-5-methyl-3,5-diphenylpyrazol-4-one Traditional Name: (3S,5R)-3-ethyl-5-methyl-3,5-diphenyl-1-pyrazolin-4-one Formula: C18H18N2O MolecularWeight: 278.34832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C(N=N1)(C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@@]1(C(=O)[C@@](N=N1)(C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O/c1-3-18(15-12-8-5-9-13-15)16(21)17(2,19-20-18)14-10-6-4-7-11-14/h4-13H,3H2,1-2H3/t17-,18+/m1/s1