2-bromanyl-N-[6-(3,5-dimethylpyrazol-1-yl)-6-oxidanylidene-hexyl]benzamide

Systemtic Name: 2-bromanyl-N-[6-(3,5-dimethylpyrazol-1-yl)-6-oxidanylidene-hexyl]benzamide Openeye Name: 2-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-6-oxo-hexyl]benzamide CAS Name: 2-bromo-N-[6-(3,5-dimethyl-1-pyrazolyl)-6-oxohexyl]benzamide IUPAC Name: 2-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-6-oxohexyl]benzamide Traditional Name: 2-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-6-keto-hexyl]benzamide Formula: C18H22BrN3O2 MolecularWeight: 392.29018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O2/c1-13-12-14(2)22(21-13)17(23)10-4-3-7-11-20-18(24)15-8-5-6-9-16(15)19/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,20,24)