1-[2,3-bis(oxidanyl)phenyl]-3-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 1-[2,3-bis(oxidanyl)phenyl]-3-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 1-(2,3-dihydroxyphenyl)-3-[4-(4-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 1-(2,3-dihydroxyphenyl)-3-(4-pyridin-4-yl-1-piperazinyl)-1-propanone IUPAC Name: 1-(2,3-dihydroxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 1-(2,3-dihydroxyphenyl)-3-[4-(4-pyridyl)piperazino]propan-1-one Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=C(C(=CC=C2)O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=C(C(=CC=C2)O)O)C3=CC=NC=C3

InChI

InChI=1S/C18H21N3O3/c22-16(15-2-1-3-17(23)18(15)24)6-9-20-10-12-21(13-11-20)14-4-7-19-8-5-14/h1-5,7-8,23-24H,6,9-13H2