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

Systemtic Name: 2-[4-(phenylcarbonyl)phenoxy]-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-benzoylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-benzoylphenoxy)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzoylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-benzoylphenoxy)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]ethanone Formula: C27H29N5O3 MolecularWeight: 471.55086

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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)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3/c33-26(19-35-23-10-8-22(9-11-23)27(34)21-6-2-1-3-7-21)32-16-14-31(15-17-32)25-18-24(28-20-29-25)30-12-4-5-13-30/h1-3,6-11,18,20H,4-5,12-17,19H2