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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O/c1-3-4-8-15-16(12-17-19-9-10-20-17)21-22(18(15)23)14-7-5-6-13(2)11-14/h5-7,9-11,15H,3-4,8,12H2,1-2H3,(H,19,20)