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

Systemtic Name: (3R)-3-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: (3R)-1-(4-benzylpiperazin-1-yl)-3-(5-bromo-2-hydroxy-phenyl)-3-phenyl-propan-1-one CAS Name: (3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: (3R)-1-(4-benzylpiperazin-1-yl)-3-(5-bromo-2-hydroxyphenyl)-3-phenylpropan-1-one Traditional Name: (3R)-1-(4-benzylpiperazino)-3-(5-bromo-2-hydroxy-phenyl)-3-phenyl-propan-1-one Formula: C26H27BrN2O2 MolecularWeight: 479.40878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C[C@H](C3=CC=CC=C3)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C26H27BrN2O2/c27-22-11-12-25(30)24(17-22)23(21-9-5-2-6-10-21)18-26(31)29-15-13-28(14-16-29)19-20-7-3-1-4-8-20/h1-12,17,23,30H,13-16,18-19H2/t23-/m1/s1