N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-1,3,5-trimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-1,3,5-trimethyl-pyrazole-4-carboxamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,3,5-trimethyl-pyrazole-4-carboxamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-1,3,5-trimethyl-4-pyrazolecarboxamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,3,5-trimethylpyrazole-4-carboxamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,3,5-trimethyl-pyrazole-4-carboxamide Formula: C17H18BrN5O MolecularWeight: 388.26172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C17H18BrN5O/c1-11-16(12(2)22(3)21-11)17(24)20-15-6-4-5-13(7-15)9-23-10-14(18)8-19-23/h4-8,10H,9H2,1-3H3,(H,20,24)