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

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

C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H28ClN3O2S/c28-21-11-9-20(10-12-21)26(24-7-3-4-15-29-24)32-22-13-17-31(18-14-22)16-5-19-34-27-30-23-6-1-2-8-25(23)33-27/h1-4,6-12,15,22,26H,5,13-14,16-19H2