N-[4-[2-(4-bromanylpyrazol-1-yl)butanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-[2-(4-bromanylpyrazol-1-yl)butanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-[2-(4-bromopyrazol-1-yl)butanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[4-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]phenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-[2-(4-bromopyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[4-[2-(4-bromopyrazol-1-yl)butanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide Formula: C18H19BrN6O2 MolecularWeight: 431.28646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C=C2)C)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C=C2)C)N3C=C(C=N3)Br

InChI

InChI=1S/C18H19BrN6O2/c1-3-16(25-11-12(19)10-20-25)18(27)22-14-6-4-13(5-7-14)21-17(26)15-8-9-24(2)23-15/h4-11,16H,3H2,1-2H3,(H,21,26)(H,22,27)