1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-(5-bromanylthiophen-2-yl)butan-1-one

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-(5-bromanylthiophen-2-yl)butan-1-one Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-4-(5-bromo-2-thienyl)butan-1-one CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-4-(5-bromo-2-thiophenyl)-1-butanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-(5-bromothiophen-2-yl)butan-1-one Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-4-(5-bromo-2-thienyl)butan-1-one Formula: C20H21BrN2O2S MolecularWeight: 433.36194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CCCC4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CCCC4=CC=C(S4)Br

InChI

InChI=1S/C20H21BrN2O2S/c21-18-9-8-15(26-18)4-3-7-19(24)23-12-10-14(11-13-23)20-22-16-5-1-2-6-17(16)25-20/h1-2,5-6,8-9,14H,3-4,7,10-13H2