1-ethyl-4-(4-fluorophenyl)carbonyl-5-piperidin-1-yl-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one hydrochloride

Systemtic Name: 1-ethyl-4-(4-fluorophenyl)carbonyl-5-piperidin-1-yl-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one hydrochloride Openeye Name: 1-ethyl-4-(4-fluorobenzoyl)-5-(1-piperidyl)-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one hydrochloride CAS Name: 1-ethyl-4-[(4-fluorophenyl)-oxomethyl]-5-(1-piperidinyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-2-benzimidazolone hydrochloride IUPAC Name: 1-ethyl-4-(4-fluorobenzoyl)-5-piperidin-1-yl-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one hydrochloride Traditional Name: 1-ethyl-4-(4-fluorobenzoyl)-5-piperidino-3-[4-(trifluoromethyl)benzyl]benzimidazol-2-one hydrochloride Formula: C29H28ClF4N3O2 MolecularWeight: 561.998133

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2)N3CCCCC3)C(=O)C4=CC=C(C=C4)F)N(C1=O)CC5=CC=C(C=C5)C(F)(F)F.Cl

Isomeric SMILES

CCN1C2=C(C(=C(C=C2)N3CCCCC3)C(=O)C4=CC=C(C=C4)F)N(C1=O)CC5=CC=C(C=C5)C(F)(F)F.Cl

InChI

InChI=1S/C29H27F4N3O2.ClH/c1-2-35-24-15-14-23(34-16-4-3-5-17-34)25(27(37)20-8-12-22(30)13-9-20)26(24)36(28(35)38)18-19-6-10-21(11-7-19)29(31,32)33;/h6-15H,2-5,16-18H2,1H3;1H