1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-prop-2-enyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-prop-2-enyl-pyrazole-3-carboxamide Openeye Name: N-allyl-1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-prop-2-enyl-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-enylpyrazole-3-carboxamide Traditional Name: N-allyl-1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C13H16BrN5O MolecularWeight: 338.20304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NCC=C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NCC=C)C)Br

InChI

InChI=1S/C13H16BrN5O/c1-4-6-15-13(20)11-5-7-18(17-11)8-19-10(3)12(14)9(2)16-19/h4-5,7H,1,6,8H2,2-3H3,(H,15,20)