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

Systemtic Name: N-[3-[3-(4-bromanylpyrazol-1-yl)propanoylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: N-[3-[3-(4-bromopyrazol-1-yl)propanoylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: N-[3-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]phenyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[3-(4-bromopyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide Traditional Name: N-[3-[3-(4-bromopyrazol-1-yl)propanoylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide Formula: C18H19BrN6O2 MolecularWeight: 431.28646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)NC2=CC(=CC=C2)NC(=O)CCN3C=C(C=N3)Br

Isomeric SMILES

CCN1C(=CC=N1)C(=O)NC2=CC(=CC=C2)NC(=O)CCN3C=C(C=N3)Br

InChI

InChI=1S/C18H19BrN6O2/c1-2-25-16(6-8-20-25)18(27)23-15-5-3-4-14(10-15)22-17(26)7-9-24-12-13(19)11-21-24/h3-6,8,10-12H,2,7,9H2,1H3,(H,22,26)(H,23,27)