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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C16H20BrN3O/c1-4-8-18-16(21)14-7-5-6-13(9-14)10-20-12(3)15(17)11(2)19-20/h5-7,9H,4,8,10H2,1-3H3,(H,18,21)