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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(1-methyl-3-phenyl-propyl)piperazine-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenylbutan-2-yl)-1-piperazinecarboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(1-methyl-3-phenyl-propyl)piperazine-1-carboxamide Formula: C21H24ClF3N4O MolecularWeight: 440.88967

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C21H24ClF3N4O/c1-15(7-8-16-5-3-2-4-6-16)27-20(30)29-11-9-28(10-12-29)19-18(22)13-17(14-26-19)21(23,24)25/h2-6,13-15H,7-12H2,1H3,(H,27,30)