N-(2-bromanyl-4-methyl-phenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propionamide Formula: C20H22BrF3N4O MolecularWeight: 471.31409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Br

InChI

InChI=1S/C20H22BrF3N4O/c1-13-3-5-17(16(21)11-13)26-19(29)14(2)27-7-9-28(10-8-27)18-6-4-15(12-25-18)20(22,23)24/h3-6,11-12,14H,7-10H2,1-2H3,(H,26,29)