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

Systemtic Name: 3-(1,3-benzodioxol-4-ylmethyl)-1-ethyl-4-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]benzimidazol-2-one hydrochloride Openeye Name: 3-(1,3-benzodioxol-4-ylmethyl)-1-ethyl-4-[4-(4-fluorobenzoyl)-1-piperidyl]benzimidazol-2-one hydrochloride CAS Name: 3-(1,3-benzodioxol-4-ylmethyl)-1-ethyl-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-2-benzimidazolone hydrochloride IUPAC Name: 3-(1,3-benzodioxol-4-ylmethyl)-1-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]benzimidazol-2-one hydrochloride Traditional Name: 3-(1,3-benzodioxol-4-ylmethyl)-1-ethyl-4-[4-(4-fluorobenzoyl)piperidino]benzimidazol-2-one hydrochloride Formula: C29H29ClFN3O4 MolecularWeight: 538.009663

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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=C6C(=CC=C5)OCO6.Cl

Isomeric SMILES

CCN1C2=C(C(=CC=C2)N3CCC(CC3)C(=O)C4=CC=C(C=C4)F)N(C1=O)CC5=C6C(=CC=C5)OCO6.Cl

InChI

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