2-[3-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethylamino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C14H18BrN5O3 MolecularWeight: 384.22842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCNC(=O)CCN2C(=CC=N2)C(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCNC(=O)CCN2C(=CC=N2)C(=O)O)C)Br

InChI

InChI=1S/C14H18BrN5O3/c1-9-13(15)10(2)19(18-9)8-6-16-12(21)4-7-20-11(14(22)23)3-5-17-20/h3,5H,4,6-8H2,1-2H3,(H,16,21)(H,22,23)