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

Systemtic Name: 4-butyl-5-(imidazol-1-ylmethyl)-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-butyl-5-(imidazol-1-ylmethyl)-2-phenyl-4H-pyrazol-3-one CAS Name: 4-butyl-5-(1-imidazolylmethyl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-butyl-5-(imidazol-1-ylmethyl)-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-butyl-5-(imidazol-1-ylmethyl)-2-phenyl-2-pyrazolin-3-one Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=NN(C1=O)C2=CC=CC=C2)CN3C=CN=C3

Isomeric SMILES

CCCCC1C(=NN(C1=O)C2=CC=CC=C2)CN3C=CN=C3

InChI

InChI=1S/C17H20N4O/c1-2-3-9-15-16(12-20-11-10-18-13-20)19-21(17(15)22)14-7-5-4-6-8-14/h4-8,10-11,13,15H,2-3,9,12H2,1H3