4-[(4-bromanylpyrazol-1-yl)methyl]-N-[2-[(2S)-butan-2-yl]phenyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[2-[(2S)-butan-2-yl]phenyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[2-[(1S)-1-methylpropyl]phenyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[2-[(2S)-butan-2-yl]phenyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[2-[(2S)-butan-2-yl]phenyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[2-[(1S)-1-methylpropyl]phenyl]benzamide Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C21H22BrN3O/c1-3-15(2)19-6-4-5-7-20(19)24-21(26)17-10-8-16(9-11-17)13-25-14-18(22)12-23-25/h4-12,14-15H,3,13H2,1-2H3,(H,24,26)/t15-/m0/s1