1-ethyl-4-(4-fluorophenyl)carbonyl-3-(phenylmethyl)-5-piperidin-1-yl-benzimidazol-2-one hydrochloride

Systemtic Name: 1-ethyl-4-(4-fluorophenyl)carbonyl-3-(phenylmethyl)-5-piperidin-1-yl-benzimidazol-2-one hydrochloride Openeye Name: 3-benzyl-1-ethyl-4-(4-fluorobenzoyl)-5-(1-piperidyl)benzimidazol-2-one hydrochloride CAS Name: 1-ethyl-4-[(4-fluorophenyl)-oxomethyl]-3-(phenylmethyl)-5-(1-piperidinyl)-2-benzimidazolone hydrochloride IUPAC Name: 3-benzyl-1-ethyl-4-(4-fluorobenzoyl)-5-piperidin-1-ylbenzimidazol-2-one hydrochloride Traditional Name: 3-benzyl-1-ethyl-4-(4-fluorobenzoyl)-5-piperidino-benzimidazol-2-one hydrochloride Formula: C28H29ClFN3O2 MolecularWeight: 494.000163

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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=CC=C5.Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H28FN3O2.ClH/c1-2-31-24-16-15-23(30-17-7-4-8-18-30)25(27(33)21-11-13-22(29)14-12-21)26(24)32(28(31)34)19-20-9-5-3-6-10-20;/h3,5-6,9-16H,2,4,7-8,17-19H2,1H3;1H