3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]benzimidazol-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]benzimidazol-2-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-[4-(4-fluorobenzoyl)-1-piperidyl]benzimidazol-2-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-2-benzimidazolone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]benzimidazol-2-one Traditional Name: 1-ethyl-4-[4-(4-fluorobenzoyl)piperidino]-3-piperonyl-benzimidazol-2-one Formula: C29H28FN3O4 MolecularWeight: 501.548723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=CC=C2)N3CCC(CC3)C(=O)C4=CC=C(C=C4)F)N(C1=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCN1C2=C(C(=CC=C2)N3CCC(CC3)C(=O)C4=CC=C(C=C4)F)N(C1=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H28FN3O4/c1-2-32-24-5-3-4-23(31-14-12-21(13-15-31)28(34)20-7-9-22(30)10-8-20)27(24)33(29(32)35)17-19-6-11-25-26(16-19)37-18-36-25/h3-11,16,21H,2,12-15,17-18H2,1H3