[4-[3-[4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-yl]oxy-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[3-[4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-yl]oxy-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[3-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]-2-hydroxypropyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-[4,5-bis(hydroxymethyl)-2-methylpyridin-3-yl]oxy-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[2-hydroxy-3-[(2-methyl-4,5-dimethylol-3-pyridyl)oxy]propyl]piperazino]-phenyl-methanone Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O)CO)CO

Isomeric SMILES

CC1=NC=C(C(=C1OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O)CO)CO

InChI

InChI=1S/C22H29N3O5/c1-16-21(20(14-27)18(13-26)11-23-16)30-15-19(28)12-24-7-9-25(10-8-24)22(29)17-5-3-2-4-6-17/h2-6,11,19,26-28H,7-10,12-15H2,1H3