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

Systemtic Name: 1-ethyl-5-(4-fluorophenyl)carbonyl-3-[(4-nitrophenyl)methyl]-4-piperidin-1-yl-benzimidazol-2-one hydrochloride Openeye Name: 1-ethyl-5-(4-fluorobenzoyl)-3-[(4-nitrophenyl)methyl]-4-(1-piperidyl)benzimidazol-2-one hydrochloride CAS Name: 1-ethyl-5-[(4-fluorophenyl)-oxomethyl]-3-[(4-nitrophenyl)methyl]-4-(1-piperidinyl)-2-benzimidazolone hydrochloride IUPAC Name: 1-ethyl-5-(4-fluorobenzoyl)-3-[(4-nitrophenyl)methyl]-4-piperidin-1-ylbenzimidazol-2-one hydrochloride Traditional Name: 1-ethyl-5-(4-fluorobenzoyl)-3-(4-nitrobenzyl)-4-piperidino-benzimidazol-2-one hydrochloride Formula: C28H28ClFN4O4 MolecularWeight: 538.997723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2)C(=O)C3=CC=C(C=C3)F)N4CCCCC4)N(C1=O)CC5=CC=C(C=C5)[N+](=O)[O-].Cl

Isomeric SMILES

CCN1C2=C(C(=C(C=C2)C(=O)C3=CC=C(C=C3)F)N4CCCCC4)N(C1=O)CC5=CC=C(C=C5)[N+](=O)[O-].Cl

InChI

InChI=1S/C28H27FN4O4.ClH/c1-2-31-24-15-14-23(27(34)20-8-10-21(29)11-9-20)25(30-16-4-3-5-17-30)26(24)32(28(31)35)18-19-6-12-22(13-7-19)33(36)37;/h6-15H,2-5,16-18H2,1H3;1H