(2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile CAS Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methyl-1-piperazinyl)acetonitrile IUPAC Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile Traditional Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperazino)acetonitrile Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O/c1-15-6-8-16(9-7-15)13(10-14)11-2-4-12(17)5-3-11/h2-5,13,17H,6-9H2,1H3/t13-/m1/s1