N-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)phenyl]-2,4-bis(trifluoromethyl)aniline

Systemtic Name: N-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)phenyl]-2,4-bis(trifluoromethyl)aniline Openeye Name: N-[3-(4-bromo-2-methyl-pyrazol-3-yl)phenyl]-2,4-bis(trifluoromethyl)aniline CAS Name: N-[3-(4-bromo-2-methyl-3-pyrazolyl)phenyl]-2,4-bis(trifluoromethyl)aniline IUPAC Name: N-[3-(4-bromo-2-methylpyrazol-3-yl)phenyl]-2,4-bis(trifluoromethyl)aniline Traditional Name: [2,4-bis(trifluoromethyl)phenyl]-[3-(4-bromo-2-methyl-pyrazol-3-yl)phenyl]amine Formula: C18H12BrF6N3 MolecularWeight: 464.202399

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C=N1)Br)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H12BrF6N3/c1-28-16(14(19)9-26-28)10-3-2-4-12(7-10)27-15-6-5-11(17(20,21)22)8-13(15)18(23,24)25/h2-9,27H,1H3