2-(3-chloranylphenoxy)-1-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3-chloranylphenoxy)-1-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(3-chlorophenoxy)-1-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone CAS Name: 2-(3-chlorophenoxy)-1-[4-[4-(4-ethoxyphenyl)-2-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-chlorophenoxy)-1-[4-[4-(4-ethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(3-chlorophenoxy)-1-[4-(4-p-phenetylpyrimidin-2-yl)piperazino]ethanone Formula: C24H25ClN4O3 MolecularWeight: 452.9333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)C(=O)COC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)C(=O)COC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H25ClN4O3/c1-2-31-20-8-6-18(7-9-20)22-10-11-26-24(27-22)29-14-12-28(13-15-29)23(30)17-32-21-5-3-4-19(25)16-21/h3-11,16H,2,12-15,17H2,1H3