2-(2,3-dimethylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dimethylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(2,3-dimethylphenoxy)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 2-(2,3-dimethylphenoxy)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dimethylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(2,3-dimethylphenoxy)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]ethanone Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)C

InChI

InChI=1S/C23H31N5O2/c1-18-7-6-8-20(19(18)2)30-16-23(29)28-13-11-27(12-14-28)22-15-21(24-17-25-22)26-9-4-3-5-10-26/h6-8,15,17H,3-5,9-14,16H2,1-2H3