2-[4-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[4-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]-2-phenylacetonitrile Traditional Name: 2-[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]piperazino]-2-phenyl-acetonitrile Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-18-9-10-19(2)24(20(18)3)29-17-22(28)16-26-11-13-27(14-12-26)23(15-25)21-7-5-4-6-8-21/h4-10,22-23,28H,11-14,16-17H2,1-3H3