2-bromanyl-N-[6-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-6-oxidanylidene-hexyl]benzamide

Systemtic Name: 2-bromanyl-N-[6-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-6-oxidanylidene-hexyl]benzamide Openeye Name: 2-bromo-N-[6-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-6-oxo-hexyl]benzamide CAS Name: 2-bromo-N-[6-(4-chloro-3,5-dimethyl-1-pyrazolyl)-6-oxohexyl]benzamide IUPAC Name: 2-bromo-N-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-oxohexyl]benzamide Traditional Name: 2-bromo-N-[6-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-6-keto-hexyl]benzamide Formula: C18H21BrClN3O2 MolecularWeight: 426.73524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CCCCCNC(=O)C2=CC=CC=C2Br)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)CCCCCNC(=O)C2=CC=CC=C2Br)C)Cl

InChI

InChI=1S/C18H21BrClN3O2/c1-12-17(20)13(2)23(22-12)16(24)10-4-3-7-11-21-18(25)14-8-5-6-9-15(14)19/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,21,25)