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

Systemtic Name: N-[3-[2-(4-bromanylpyrazol-1-yl)butanoylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: N-[3-[2-(4-bromopyrazol-1-yl)butanoylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: N-[3-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]phenyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[2-(4-bromopyrazol-1-yl)butanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide Traditional Name: N-[3-[2-(4-bromopyrazol-1-yl)butanoylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide Formula: C19H21BrN6O2 MolecularWeight: 445.31304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=NN2CC)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=NN2CC)N3C=C(C=N3)Br

InChI

InChI=1S/C19H21BrN6O2/c1-3-16(26-12-13(20)11-22-26)18(27)23-14-6-5-7-15(10-14)24-19(28)17-8-9-21-25(17)4-2/h5-12,16H,3-4H2,1-2H3,(H,23,27)(H,24,28)