1-[4-(diphenylmethyl)piperazin-1-yl]-3-(1-phenylsulfanylisoquinolin-5-yl)oxy-propan-2-ol

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-(1-phenylsulfanylisoquinolin-5-yl)oxy-propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[(1-phenylsulfanyl-5-isoquinolyl)oxy]propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[[1-(phenylthio)-5-isoquinolinyl]oxy]-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(1-phenylsulfanylisoquinolin-5-yl)oxypropan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-[[1-(phenylthio)-5-isoquinolyl]oxy]propan-2-ol Formula: C35H35N3O2S MolecularWeight: 561.7363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=CN=C3SC4=CC=CC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=CN=C3SC4=CC=CC=C4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H35N3O2S/c39-29(26-40-33-18-10-17-32-31(33)19-20-36-35(32)41-30-15-8-3-9-16-30)25-37-21-23-38(24-22-37)34(27-11-4-1-5-12-27)28-13-6-2-7-14-28/h1-20,29,34,39H,21-26H2