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

Systemtic Name: 2-bromanyl-4-methyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline Openeye Name: 2-bromo-4-methyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline CAS Name: 2-bromo-4-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]aniline IUPAC Name: 2-bromo-4-methyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline Traditional Name: (2-bromo-4-methyl-phenyl)-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C17H16BrN3 MolecularWeight: 342.23304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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