4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-pyridin-4-yl-piperazine-1-carboxamide hydrochloride

Systemtic Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-pyridin-4-yl-piperazine-1-carboxamide hydrochloride Openeye Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-pyridyl)piperazine-1-carboxamide hydrochloride CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-pyridin-4-yl-1-piperazinecarboxamide hydrochloride IUPAC Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-pyridin-4-ylpiperazine-1-carboxamide hydrochloride Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-pyridyl)piperazine-1-carboxamide hydrochloride Formula: C20H21ClF3N5O MolecularWeight: 439.86185

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=CC=NC=C2)C)C3=CC(=C(C=C3)C#N)C(F)(F)F.Cl

Isomeric SMILES

CC1CN(C(CN1C(=O)NC2=CC=NC=C2)C)C3=CC(=C(C=C3)C#N)C(F)(F)F.Cl

InChI

InChI=1S/C20H20F3N5O.ClH/c1-13-12-28(19(29)26-16-5-7-25-8-6-16)14(2)11-27(13)17-4-3-15(10-24)18(9-17)20(21,22)23;/h3-9,13-14H,11-12H2,1-2H3,(H,25,26,29);1H