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

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethylphenoxy)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-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=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=NC=C3)C

Isomeric SMILES

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

InChI

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