4-[[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]methyl]benzoate Formula: C18H17BrN5O3- MolecularWeight: 431.26328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-])C)Br

InChI

InChI=1S/C18H18BrN5O3/c1-11-16(19)12(2)24(21-11)10-23-8-7-15(22-23)17(25)20-9-13-3-5-14(6-4-13)18(26)27/h3-8H,9-10H2,1-2H3,(H,20,25)(H,26,27)/p-1