2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-[2-(4-pyridyl)ethyl]piperazino]ethanone Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)CCC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)CCC3=CC=NC=C3

InChI

InChI=1S/C21H26ClN3O2/c1-16-13-19(14-17(2)21(16)22)27-15-20(26)25-11-9-24(10-12-25)8-5-18-3-6-23-7-4-18/h3-4,6-7,13-14H,5,8-12,15H2,1-2H3