2-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]quinoline-4-carboxylate

Systemtic Name: 2-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]quinoline-4-carboxylate Openeye Name: 2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]quinoline-4-carboxylate CAS Name: 2-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-4-quinolinecarboxylate IUPAC Name: 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylate Traditional Name: 2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]cinchoninate Formula: C16H13BrN3O2- MolecularWeight: 359.19732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])C)Br

InChI

InChI=1S/C16H14BrN3O2/c1-9-15(17)10(2)20(19-9)8-11-7-13(16(21)22)12-5-3-4-6-14(12)18-11/h3-7H,8H2,1-2H3,(H,21,22)/p-1