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2-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]xanthen-9-one

2-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]xanthen-9-one

Systemtic Name:2-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]xanthen-9-one
Openeye Name:2-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propoxy]xanthen-9-one
CAS Name:2-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]-9-xanthenone
IUPAC Name:2-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]xanthen-9-one
Traditional Name:2-[3-(4-benzylpiperazino)-2-hydroxy-propoxy]xanthone
Formula: C27H28N2O4
MolecularWeight: 444.52222
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC4=C(C=C3)OC5=CC=CC=C5C4=O)O


Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC4=C(C=C3)OC5=CC=CC=C5C4=O)O


InChI

InChI=1S/C27H28N2O4/c30-21(18-29-14-12-28(13-15-29)17-20-6-2-1-3-7-20)19-32-22-10-11-26-24(16-22)27(31)23-8-4-5-9-25(23)33-26/h1-11,16,21,30H,12-15,17-19H2


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