4-bromanyl-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-1-methyl-N-[4-(1-piperidylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-1-methyl-N-[4-(1-piperidinylmethyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-1-methyl-N-[4-(piperidinomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C18H20BrF3N4O MolecularWeight: 445.27681

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2=CC=C(C=C2)CN3CCCCC3)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2=CC=C(C=C2)CN3CCCCC3)Br)C(F)(F)F

InChI

InChI=1S/C18H20BrF3N4O/c1-25-16(18(20,21)22)14(19)15(24-25)17(27)23-13-7-5-12(6-8-13)11-26-9-3-2-4-10-26/h5-8H,2-4,9-11H2,1H3,(H,23,27)