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

Systemtic Name: 2-(3-chloranylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(3-chlorophenoxy)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 2-(3-chlorophenoxy)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-chlorophenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(3-chlorophenoxy)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]ethanone Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)COC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)COC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H26ClN5O2/c22-17-5-4-6-18(13-17)29-15-21(28)27-11-9-26(10-12-27)20-14-19(23-16-24-20)25-7-2-1-3-8-25/h4-6,13-14,16H,1-3,7-12,15H2