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

Systemtic Name: 2-(2-methyl-5-propan-2-yl-phenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(5-isopropyl-2-methyl-phenoxy)-1-[4-(4-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-(2-methyl-5-propan-2-ylphenoxy)-1-(4-pyridin-4-yl-1-piperazinyl)ethanone IUPAC Name: 2-(2-methyl-5-propan-2-ylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(5-isopropyl-2-methyl-phenoxy)-1-[4-(4-pyridyl)piperazino]ethanone Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H27N3O2/c1-16(2)18-5-4-17(3)20(14-18)26-15-21(25)24-12-10-23(11-13-24)19-6-8-22-9-7-19/h4-9,14,16H,10-13,15H2,1-3H3