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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]ethanone Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H24ClN5O2/c21-16-3-5-17(6-4-16)28-14-20(27)26-11-9-25(10-12-26)19-13-18(22-15-23-19)24-7-1-2-8-24/h3-6,13,15H,1-2,7-12,14H2