3-[3-[4-(4-bromanylphenoxy)-3-phenyl-piperidin-1-yl]propyl]-6-fluoranyl-1,2-benzoxazole

Systemtic Name: 3-[3-[4-(4-bromanylphenoxy)-3-phenyl-piperidin-1-yl]propyl]-6-fluoranyl-1,2-benzoxazole Openeye Name: 3-[3-[4-(4-bromophenoxy)-3-phenyl-1-piperidyl]propyl]-6-fluoro-1,2-benzoxazole CAS Name: 3-[3-[4-(4-bromophenoxy)-3-phenyl-1-piperidinyl]propyl]-6-fluoro-1,2-benzoxazole IUPAC Name: 3-[3-[4-(4-bromophenoxy)-3-phenylpiperidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole Traditional Name: 3-[3-[4-(4-bromophenoxy)-3-phenyl-piperidino]propyl]-6-fluoro-indoxazene Formula: C27H26BrFN2O2 MolecularWeight: 509.409943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1OC2=CC=C(C=C2)Br)C3=CC=CC=C3)CCCC4=NOC5=C4C=CC(=C5)F

Isomeric SMILES

C1CN(CC(C1OC2=CC=C(C=C2)Br)C3=CC=CC=C3)CCCC4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C27H26BrFN2O2/c28-20-8-11-22(12-9-20)32-26-14-16-31(18-24(26)19-5-2-1-3-6-19)15-4-7-25-23-13-10-21(29)17-27(23)33-30-25/h1-3,5-6,8-13,17,24,26H,4,7,14-16,18H2