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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1C(=O)NC2=CC=CC=C2)CC)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1C(=O)NC2=CC=CC=C2)CC)N3C=C(C=N3)Br

InChI

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