1-[4-[(2S)-2-oxidanyl-3-quinolin-5-yloxy-propyl]piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(2S)-2-oxidanyl-3-quinolin-5-yloxy-propyl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-(5-quinolinyloxy)propyl]-1-piperazinyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-quinolin-5-yloxypropyl]piperazin-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(5-quinolyloxy)propyl]piperazino]-2,2-diphenyl-ethanone Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C[C@@H](COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2/t25-/m0/s1