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

Systemtic Name: 4-butyl-2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-4H-pyrazol-3-one Openeye Name: 4-butyl-2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-4H-pyrazol-3-one CAS Name: 4-butyl-2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-4H-pyrazol-3-one IUPAC Name: 4-butyl-2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-4H-pyrazol-3-one Traditional Name: 4-butyl-2-(4-butylphenyl)-5-(1H-imidazol-2-ylmethyl)-2-pyrazolin-3-one Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=NN(C1=O)C2=CC=C(C=C2)CCCC)CC3=NC=CN3

Isomeric SMILES

CCCCC1C(=NN(C1=O)C2=CC=C(C=C2)CCCC)CC3=NC=CN3

InChI

InChI=1S/C21H28N4O/c1-3-5-7-16-9-11-17(12-10-16)25-21(26)18(8-6-4-2)19(24-25)15-20-22-13-14-23-20/h9-14,18H,3-8,15H2,1-2H3,(H,22,23)