4-bromanyl-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-2-methyl-N-[3-(morpholinomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-2-methyl-N-[3-(4-morpholinylmethyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-2-methyl-N-[3-(morpholinomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C17H18BrF3N4O2 MolecularWeight: 447.24963

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NC2=CC=CC(=C2)CN3CCOCC3

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NC2=CC=CC(=C2)CN3CCOCC3

InChI

InChI=1S/C17H18BrF3N4O2/c1-24-14(13(18)15(23-24)17(19,20)21)16(26)22-12-4-2-3-11(9-12)10-25-5-7-27-8-6-25/h2-4,9H,5-8,10H2,1H3,(H,22,26)