1-(2,2-dimethylpropyl)-3-oxidanyl-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]piperidin-2-one

Systemtic Name: 1-(2,2-dimethylpropyl)-3-oxidanyl-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]piperidin-2-one Openeye Name: 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]piperidin-2-one CAS Name: 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]-2-piperidinone IUPAC Name: 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]piperidin-2-one Traditional Name: 3-hydroxy-1-neopentyl-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]-2-piperidone Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(CNCC2=NC(=NN2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)CN1CCCC(C1=O)(CNCC2=NC(=NN2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H29N5O2/c1-19(2,3)14-25-11-7-10-20(27,18(25)26)13-21-12-16-22-17(24-23-16)15-8-5-4-6-9-15/h4-6,8-9,21,27H,7,10-14H2,1-3H3,(H,22,23,24)