1-[4-[4-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2S)-3-benzhydryloxy-2-hydroxy-propyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2S)-3-(diphenylmethyl)oxy-2-hydroxypropyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2S)-3-benzhydryloxy-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(2S)-3-benzhydryloxy-2-hydroxy-propyl]piperazino]phenyl]ethanone Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C[C@@H](COC(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H32N2O3/c1-22(31)23-12-14-26(15-13-23)30-18-16-29(17-19-30)20-27(32)21-33-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,27-28,32H,16-21H2,1H3/t27-/m0/s1