N-[(3-chlorophenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide Formula: C18H18ClF3N4O MolecularWeight: 398.80993

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC(=CC=C3)Cl

InChI

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