2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-4-methyl-4H-pyrazol-3-one

Systemtic Name: 2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-4-methyl-4H-pyrazol-3-one Openeye Name: 2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-4-methyl-4H-pyrazol-3-one CAS Name: 2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-4-methyl-4H-pyrazol-3-one IUPAC Name: 2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-4-methyl-4H-pyrazol-3-one Traditional Name: 2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-4-methyl-2-pyrazolin-3-one Formula: C18H22N4O MolecularWeight: 310.39348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(C(=N2)CC3=NC=CN3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(C(=N2)CC3=NC=CN3)C

InChI

InChI=1S/C18H22N4O/c1-3-4-5-14-6-8-15(9-7-14)22-18(23)13(2)16(21-22)12-17-19-10-11-20-17/h6-11,13H,3-5,12H2,1-2H3,(H,19,20)