N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(5-fluoranylbenzotriazol-1-yl)piperidine-1-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(5-fluoranylbenzotriazol-1-yl)piperidine-1-carboxamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(5-fluoro-1-benzotriazolyl)-1-piperidinecarboxamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide Formula: C19H16ClF4N5O MolecularWeight: 441.809853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C19H16ClF4N5O/c20-15-3-2-12(10-14(15)19(22,23)24)25-18(30)28-7-5-13(6-8-28)29-17-4-1-11(21)9-16(17)26-27-29/h1-4,9-10,13H,5-8H2,(H,25,30)