2-[4-[2-oxidanyl-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-oxidanyl-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-[[1-(1-piperidyl)cyclohexyl]methylamino]propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-[[1-(1-piperidinyl)cyclohexyl]methylamino]propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-hydroxy-3-[(1-piperidinocyclohexyl)methylamino]propoxy]phenyl]acetonitrile Formula: C23H35N3O2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNCC(COC2=CC=C(C=C2)CC#N)O)N3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNCC(COC2=CC=C(C=C2)CC#N)O)N3CCCCC3

InChI

InChI=1S/C23H35N3O2/c24-14-11-20-7-9-22(10-8-20)28-18-21(27)17-25-19-23(12-3-1-4-13-23)26-15-5-2-6-16-26/h7-10,21,25,27H,1-6,11-13,15-19H2