N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1-ethyl-2-benzimidazolyl)-1-piperazinecarboxamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide Formula: C21H21ClF3N5O MolecularWeight: 451.87255

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C21H21ClF3N5O/c1-2-30-18-6-4-3-5-17(18)27-19(30)28-9-11-29(12-10-28)20(31)26-14-7-8-16(22)15(13-14)21(23,24)25/h3-8,13H,2,9-12H2,1H3,(H,26,31)