2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]propylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]propylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[2-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]-1-piperidyl]propylsulfanyl]-1,3-benzoxazole CAS Name: 2-[2-[4-[(4-chlorophenyl)-(2-pyridinyl)methoxy]-1-piperidinyl]propylthio]-1,3-benzoxazole IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]propylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[2-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]piperidino]propylthio]-1,3-benzoxazole Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=CC=CC=C2O1)N3CCC(CC3)OC(C4=CC=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

CC(CSC1=NC2=CC=CC=C2O1)N3CCC(CC3)OC(C4=CC=C(C=C4)Cl)C5=CC=CC=N5

InChI

InChI=1S/C27H28ClN3O2S/c1-19(18-34-27-30-23-6-2-3-8-25(23)33-27)31-16-13-22(14-17-31)32-26(24-7-4-5-15-29-24)20-9-11-21(28)12-10-20/h2-12,15,19,22,26H,13-14,16-18H2,1H3