2-(3,5-dimethyl-4-oxidanyl-phenyl)-2-piperazin-1-yl-ethanenitrile

Systemtic Name: 2-(3,5-dimethyl-4-oxidanyl-phenyl)-2-piperazin-1-yl-ethanenitrile Openeye Name: 2-(4-hydroxy-3,5-dimethyl-phenyl)-2-piperazin-1-yl-acetonitrile CAS Name: 2-(4-hydroxy-3,5-dimethylphenyl)-2-(1-piperazinyl)acetonitrile IUPAC Name: 2-(4-hydroxy-3,5-dimethylphenyl)-2-piperazin-1-ylacetonitrile Traditional Name: 2-(4-hydroxy-3,5-dimethyl-phenyl)-2-piperazino-acetonitrile Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(C#N)N2CCNCC2

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C(C#N)N2CCNCC2

InChI

InChI=1S/C14H19N3O/c1-10-7-12(8-11(2)14(10)18)13(9-15)17-5-3-16-4-6-17/h7-8,13,16,18H,3-6H2,1-2H3