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

Systemtic Name: 1-ethyl-4-(4-fluorophenyl)carbonyl-3-[(3-nitrophenyl)methyl]-5-piperidin-1-yl-benzimidazol-2-one hydrochloride Openeye Name: 1-ethyl-4-(4-fluorobenzoyl)-3-[(3-nitrophenyl)methyl]-5-(1-piperidyl)benzimidazol-2-one hydrochloride CAS Name: 1-ethyl-4-[(4-fluorophenyl)-oxomethyl]-3-[(3-nitrophenyl)methyl]-5-(1-piperidinyl)-2-benzimidazolone hydrochloride IUPAC Name: 1-ethyl-4-(4-fluorobenzoyl)-3-[(3-nitrophenyl)methyl]-5-piperidin-1-ylbenzimidazol-2-one hydrochloride Traditional Name: 1-ethyl-4-(4-fluorobenzoyl)-3-(3-nitrobenzyl)-5-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)N3CCCCC3)C(=O)C4=CC=C(C=C4)F)N(C1=O)CC5=CC(=CC=C5)[N+](=O)[O-].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)[N+](=O)[O-].Cl

InChI

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