4-bromanyl-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline

Systemtic Name: 4-bromanyl-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline Openeye Name: 4-bromo-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline CAS Name: 4-bromo-3-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]aniline IUPAC Name: 4-bromo-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline Traditional Name: (4-bromo-3-methyl-phenyl)-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C17H16BrN3 MolecularWeight: 342.23304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC2=CN(N=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NCC2=CN(N=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C17H16BrN3/c1-13-9-15(7-8-17(13)18)19-10-14-11-20-21(12-14)16-5-3-2-4-6-16/h2-9,11-12,19H,10H2,1H3