4-[4-[(1R,2S)-2-oxidanylcyclohexyl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[(1R,2S)-2-oxidanylcyclohexyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[(1R,2S)-2-hydroxycyclohexanecarbonyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[[(1R,2S)-2-hydroxycyclohexyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[(1R,2S)-2-hydroxycyclohexanecarbonyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[(1R,2S)-2-hydroxycyclohexanecarbonyl]piperazino]benzonitrile Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C18H23N3O2/c19-13-14-5-7-15(8-6-14)20-9-11-21(12-10-20)18(23)16-3-1-2-4-17(16)22/h5-8,16-17,22H,1-4,9-12H2/t16-,17+/m1/s1