2-[(2S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-2-methyl-propanenitrile

Systemtic Name: 2-[(2S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-2-methyl-propanenitrile Openeye Name: 2-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-2-methyl-propanenitrile CAS Name: 2-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)-1-piperazinyl]propoxy]-2-methylpropanenitrile IUPAC Name: 2-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-2-methylpropanenitrile Traditional Name: 2-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazino]propoxy]-2-methyl-propionitrile Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)OCC(CN1CCN(CC1)C2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(C)(C#N)OC[C@H](CN1CCN(CC1)C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C18H27N3O3/c1-18(2,14-19)24-13-16(22)12-20-8-10-21(11-9-20)15-4-6-17(23-3)7-5-15/h4-7,16,22H,8-13H2,1-3H3/t16-/m0/s1