1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluoranyl-benzimidazol-1-yl]piperidin-1-yl]pent-4-en-1-one

Systemtic Name: 1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluoranyl-benzimidazol-1-yl]piperidin-1-yl]pent-4-en-1-one Openeye Name: 1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluoro-benzimidazol-1-yl]-1-piperidyl]pent-4-en-1-one CAS Name: 1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluoro-1-benzimidazolyl]-1-piperidinyl]-4-penten-1-one IUPAC Name: 1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluorobenzimidazol-1-yl]piperidin-1-yl]pent-4-en-1-one Traditional Name: 1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluoro-benzimidazol-1-yl]piperidino]pent-4-en-1-one Formula: C24H24FN3O3 MolecularWeight: 421.464063

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)F)N=C2C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCCC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)F)N=C2C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24FN3O3/c1-2-3-4-23(29)27-11-9-18(10-12-27)28-20-7-6-17(25)14-19(20)26-24(28)16-5-8-21-22(13-16)31-15-30-21/h2,5-8,13-14,18H,1,3-4,9-12,15H2