N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloranylpyridin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloranylpyridin-2-yl)piperazine-1-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridyl)piperazine-1-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridyl)piperazine-1-carboxamide Formula: C18H15ClF6N4O MolecularWeight: 452.781319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)Cl)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)Cl)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H15ClF6N4O/c19-14-2-1-3-26-15(14)28-4-6-29(7-5-28)16(30)27-13-9-11(17(20,21)22)8-12(10-13)18(23,24)25/h1-3,8-10H,4-7H2,(H,27,30)