2-[(1S,2S)-2-(benzotriazol-1-ylmethylamino)cyclohexyl]ethanenitrile

Systemtic Name: 2-[(1S,2S)-2-(benzotriazol-1-ylmethylamino)cyclohexyl]ethanenitrile Openeye Name: 2-[(1S,2S)-2-(benzotriazol-1-ylmethylamino)cyclohexyl]acetonitrile CAS Name: 2-[(1S,2S)-2-(1-benzotriazolylmethylamino)cyclohexyl]acetonitrile IUPAC Name: 2-[(1S,2S)-2-(benzotriazol-1-ylmethylamino)cyclohexyl]acetonitrile Traditional Name: 2-[(1S,2S)-2-(benzotriazol-1-ylmethylamino)cyclohexyl]acetonitrile Formula: C15H19N5 MolecularWeight: 269.34486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CC#N)NCN2C3=CC=CC=C3N=N2

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)CC#N)NCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H19N5/c16-10-9-12-5-1-2-6-13(12)17-11-20-15-8-4-3-7-14(15)18-19-20/h3-4,7-8,12-13,17H,1-2,5-6,9,11H2/t12-,13-/m0/s1