4-(4-bromanylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide

Systemtic Name: 4-(4-bromanylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide Openeye Name: 4-(4-bromopyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide CAS Name: 4-(4-bromo-1-pyrazolyl)-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]benzamide IUPAC Name: 4-(4-bromopyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide Traditional Name: 4-(4-bromopyrazol-1-yl)-N-[3-(isobutyrylamino)benzyl]benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br

InChI

InChI=1S/C21H21BrN4O2/c1-14(2)20(27)25-18-5-3-4-15(10-18)11-23-21(28)16-6-8-19(9-7-16)26-13-17(22)12-24-26/h3-10,12-14H,11H2,1-2H3,(H,23,28)(H,25,27)