4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(2S)-butan-2-yl]benzamide

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(2S)-butan-2-yl]benzamide Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(1S)-1-methylpropyl]benzamide CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[(2S)-butan-2-yl]benzamide IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2S)-butan-2-yl]benzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(1S)-1-methylpropyl]benzamide Formula: C17H22BrN3O MolecularWeight: 364.28008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C17H22BrN3O/c1-5-11(2)19-17(22)15-8-6-14(7-9-15)10-21-13(4)16(18)12(3)20-21/h6-9,11H,5,10H2,1-4H3,(H,19,22)/t11-/m0/s1