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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C=N1)Br)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

InChI

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