1-[5-oxidanyl-2-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]phenyl]-3-phenyl-propan-1-one

Systemtic Name: 1-[5-oxidanyl-2-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]phenyl]-3-phenyl-propan-1-one Openeye Name: 1-[2-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propoxy]-5-hydroxy-phenyl]-3-phenyl-propan-1-one CAS Name: 1-[5-hydroxy-2-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]phenyl]-3-phenyl-1-propanone IUPAC Name: 1-[2-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]-5-hydroxyphenyl]-3-phenylpropan-1-one Traditional Name: 1-[2-[3-(4-benzylpiperazino)-2-hydroxy-propoxy]-5-hydroxy-phenyl]-3-phenyl-propan-1-one Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=C(C=C(C=C3)O)C(=O)CCC4=CC=CC=C4)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=C(C=C(C=C3)O)C(=O)CCC4=CC=CC=C4)O

InChI

InChI=1S/C29H34N2O4/c32-25-12-14-29(27(19-25)28(34)13-11-23-7-3-1-4-8-23)35-22-26(33)21-31-17-15-30(16-18-31)20-24-9-5-2-6-10-24/h1-10,12,14,19,26,32-33H,11,13,15-18,20-22H2