5-bromanyl-N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-5-bromo-pyridine-3-carboxamide CAS Name: 5-bromo-N-[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-(2-benzyl-5-tert-butylpyrazol-3-yl)-5-bromopyridine-3-carboxamide Traditional Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-5-bromo-nicotinamide Formula: C20H21BrN4O MolecularWeight: 413.31094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=CN=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=CN=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4O/c1-20(2,3)17-10-18(23-19(26)15-9-16(21)12-22-11-15)25(24-17)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,23,26)