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

Systemtic Name: 4-butyl-5-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-4H-pyrazol-3-one Openeye Name: 4-butyl-5-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-4H-pyrazol-3-one CAS Name: 4-butyl-5-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-4H-pyrazol-3-one IUPAC Name: 4-butyl-5-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-4H-pyrazol-3-one Traditional Name: 4-butyl-5-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-pyrazolin-3-one Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2/c1-3-4-5-15-16(12-17-19-10-11-20-17)21-22(18(15)23)13-6-8-14(24-2)9-7-13/h6-11,15H,3-5,12H2,1-2H3,(H,19,20)