2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C19H22ClN3O2 MolecularWeight: 359.84988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC=NC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C19H22ClN3O2/c1-15-12-17(2-3-18(15)20)25-14-19(24)23-10-8-22(9-11-23)13-16-4-6-21-7-5-16/h2-7,12H,8-11,13-14H2,1H3