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

Systemtic Name: 1-(cyclohexylmethyl)-3-oxidanyl-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]piperidin-2-one Openeye Name: 1-(cyclohexylmethyl)-3-hydroxy-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]piperidin-2-one CAS Name: 1-(cyclohexylmethyl)-3-hydroxy-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]-2-piperidinone IUPAC Name: 1-(cyclohexylmethyl)-3-hydroxy-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]piperidin-2-one Traditional Name: 1-(cyclohexylmethyl)-3-hydroxy-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]-2-piperidone Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCCC(C2=O)(CNCC3=NC(=NN3)C4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)CN2CCCC(C2=O)(CNCC3=NC(=NN3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H31N5O2/c28-21-22(29,12-7-13-27(21)15-17-8-3-1-4-9-17)16-23-14-19-24-20(26-25-19)18-10-5-2-6-11-18/h2,5-6,10-11,17,23,29H,1,3-4,7-9,12-16H2,(H,24,25,26)