4,5-diphenyl-2-[2-(4-propan-2-ylphenoxy)butyl]-1H-pyrazol-3-one

Systemtic Name: 4,5-diphenyl-2-[2-(4-propan-2-ylphenoxy)butyl]-1H-pyrazol-3-one Openeye Name: 2-[2-(4-isopropylphenoxy)butyl]-4,5-diphenyl-1H-pyrazol-3-one CAS Name: 4,5-diphenyl-2-[2-(4-propan-2-ylphenoxy)butyl]-1H-pyrazol-3-one IUPAC Name: 4,5-diphenyl-2-[2-(4-propan-2-ylphenoxy)butyl]-1H-pyrazol-3-one Traditional Name: 2-[2-(4-isopropylphenoxy)butyl]-4,5-diphenyl-3-pyrazolin-3-one Formula: C28H30N2O2 MolecularWeight: 426.55

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCC(CN1C(=O)C(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C28H30N2O2/c1-4-24(32-25-17-15-21(16-18-25)20(2)3)19-30-28(31)26(22-11-7-5-8-12-22)27(29-30)23-13-9-6-10-14-23/h5-18,20,24,29H,4,19H2,1-3H3