N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-methyl-benzamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-methyl-benzamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-2-methyl-benzamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-2-methylbenzamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-2-methyl-benzamide Formula: C16H20BrN3O MolecularWeight: 350.2535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCCN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCCN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C16H20BrN3O/c1-11-7-4-5-8-14(11)16(21)18-9-6-10-20-13(3)15(17)12(2)19-20/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,21)