N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-pyridylmethyl)piperazine-1-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-pyridinylmethyl)-1-piperazinecarboxamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-pyridylmethyl)piperazine-1-carboxamide Formula: C18H18ClF3N4O MolecularWeight: 398.80993

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H18ClF3N4O/c19-16-4-3-14(10-15(16)18(20,21)22)24-17(27)26-8-6-25(7-9-26)12-13-2-1-5-23-11-13/h1-5,10-11H,6-9,12H2,(H,24,27)