6-(hydroxymethyl)-3-oxidanyl-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]pyran-4-one Traditional Name: 3-hydroxy-2-[[4-(4-isopropylbenzyl)piperazino]methyl]-6-methylol-pyran-4-one Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)CC3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)CC3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C21H28N2O4/c1-15(2)17-5-3-16(4-6-17)12-22-7-9-23(10-8-22)13-20-21(26)19(25)11-18(14-24)27-20/h3-6,11,15,24,26H,7-10,12-14H2,1-2H3