1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(4-benzylpiperidino)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C=NC(=N3)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C=NC(=N3)C#N

InChI

InChI=1S/C17H19N5O/c18-11-16-19-13-22(20-16)12-17(23)21-8-6-15(7-9-21)10-14-4-2-1-3-5-14/h1-5,13,15H,6-10,12H2