4-bromanyl-N-[2-[(2S)-butan-2-yl]phenyl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[2-[(2S)-butan-2-yl]phenyl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-1,5-dimethyl-N-[2-[(1S)-1-methylpropyl]phenyl]pyrazole-3-carboxamide CAS Name: 4-bromo-N-[2-[(2S)-butan-2-yl]phenyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[2-[(2S)-butan-2-yl]phenyl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-1,5-dimethyl-N-[2-[(1S)-1-methylpropyl]phenyl]pyrazole-3-carboxamide Formula: C16H20BrN3O MolecularWeight: 350.2535

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=NN(C(=C2Br)C)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=NN(C(=C2Br)C)C

InChI

InChI=1S/C16H20BrN3O/c1-5-10(2)12-8-6-7-9-13(12)18-16(21)15-14(17)11(3)20(4)19-15/h6-10H,5H2,1-4H3,(H,18,21)/t10-/m0/s1