1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C12H17N5O MolecularWeight: 247.29628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2C=NC(=N2)C#N)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)CN2C=NC(=N2)C#N)C

InChI

InChI=1S/C12H17N5O/c1-9-3-10(2)6-16(5-9)12(18)7-17-8-14-11(4-13)15-17/h8-10H,3,5-7H2,1-2H3/t9-,10-/m0/s1