2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-1-[4-(4-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-(4-pyridin-4-yl-1-piperazinyl)ethanone IUPAC Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-1-[4-(4-pyridyl)piperazino]ethanone Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2/c1-15(2)18-13-19(22)16(3)12-20(18)27-14-21(26)25-10-8-24(9-11-25)17-4-6-23-7-5-17/h4-7,12-13,15H,8-11,14H2,1-3H3