N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-3-(1H-pyrazol-5-yl)aniline

Systemtic Name: N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-3-(1H-pyrazol-5-yl)aniline Openeye Name: N-[(3-bromo-4-fluoro-phenyl)methyl]-3-(1H-pyrazol-5-yl)aniline CAS Name: N-[(3-bromo-4-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline IUPAC Name: N-[(3-bromo-4-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline Traditional Name: (3-bromo-4-fluoro-benzyl)-[3-(1H-pyrazol-5-yl)phenyl]amine Formula: C16H13BrFN3 MolecularWeight: 346.196923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC(=C(C=C2)F)Br)C3=CC=NN3

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC(=C(C=C2)F)Br)C3=CC=NN3

InChI

InChI=1S/C16H13BrFN3/c17-14-8-11(4-5-15(14)18)10-19-13-3-1-2-12(9-13)16-6-7-20-21-16/h1-9,19H,10H2,(H,20,21)