2-[4-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[4-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[4-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: 2-[4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-phenylacetonitrile Traditional Name: 2-[4-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]piperazino]-2-phenyl-acetonitrile Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)C(C#N)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)C(C#N)C3=CC=CC=C3)O

InChI

InChI=1S/C23H29N3O2/c1-18-8-9-19(2)23(14-18)28-17-21(27)16-25-10-12-26(13-11-25)22(15-24)20-6-4-3-5-7-20/h3-9,14,21-22,27H,10-13,16-17H2,1-2H3