2-(2,3-dimethylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dimethylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(2,3-dimethylphenoxy)-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dimethylphenoxy)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dimethylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(2,3-dimethylphenoxy)-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-16-4-3-5-19(17(16)2)25-15-20(24)23-12-10-22(11-13-23)14-18-6-8-21-9-7-18/h3-9H,10-15H2,1-2H3