4-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)-4-oxidanyl-1H-pyrazol-5-one

Systemtic Name: 4-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)-4-oxidanyl-1H-pyrazol-5-one Openeye Name: 4-hydroxy-4-(1H-imidazol-5-ylmethyl)-3-isobutyl-1H-pyrazol-5-one CAS Name: 4-hydroxy-4-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)-1H-pyrazol-5-one IUPAC Name: 4-hydroxy-4-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)-1H-pyrazol-5-one Traditional Name: 4-hydroxy-4-(1H-imidazol-5-ylmethyl)-5-isobutyl-2-pyrazolin-3-one Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=O)C1(CC2=CN=CN2)O

Isomeric SMILES

CC(C)CC1=NNC(=O)C1(CC2=CN=CN2)O

InChI

InChI=1S/C11H16N4O2/c1-7(2)3-9-11(17,10(16)15-14-9)4-8-5-12-6-13-8/h5-7,17H,3-4H2,1-2H3,(H,12,13)(H,15,16)