3-[1-[4-(4-fluorophenyl)-4-oxidanyl-but-2-ynyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[4-(4-fluorophenyl)-4-oxidanyl-but-2-ynyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[4-(4-fluorophenyl)-4-hydroxy-but-2-ynyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[4-(4-fluorophenyl)-4-hydroxybut-2-ynyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[4-(4-fluorophenyl)-4-hydroxybut-2-ynyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[4-(4-fluorophenyl)-4-hydroxy-but-2-ynyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C22H22FN3O2 MolecularWeight: 379.427383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC#CC(C4=CC=C(C=C4)F)O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC#CC(C4=CC=C(C=C4)F)O

InChI

InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18,21,27H,11-15H2,(H,24,28)