2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]ethanone Formula: C23H30ClN5O2 MolecularWeight: 443.9696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C23H30ClN5O2/c1-17-12-19(13-18(2)23(17)24)31-15-22(30)29-10-8-28(9-11-29)21-14-20(25-16-26-21)27-6-4-3-5-7-27/h12-14,16H,3-11,15H2,1-2H3