(2S)-1-(6-bromanylnaphthalen-2-yl)oxy-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(6-bromanylnaphthalen-2-yl)oxy-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propan-2-ol Openeye Name: (2S)-1-[(6-bromo-2-naphthyl)oxy]-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propan-2-ol CAS Name: (2S)-1-[(6-bromo-2-naphthalenyl)oxy]-3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propan-2-ol Traditional Name: (2S)-1-(6-bromo-2-naphthoxy)-3-[4-(3,4-dimethylphenyl)piperazino]propan-2-ol Formula: C25H29BrN2O2 MolecularWeight: 469.41396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC4=C(C=C3)C=C(C=C4)Br)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C[C@@H](COC3=CC4=C(C=C3)C=C(C=C4)Br)O)C

InChI

InChI=1S/C25H29BrN2O2/c1-18-3-7-23(13-19(18)2)28-11-9-27(10-12-28)16-24(29)17-30-25-8-5-20-14-22(26)6-4-21(20)15-25/h3-8,13-15,24,29H,9-12,16-17H2,1-2H3/t24-/m0/s1