2-[3-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl-methyl-amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl-methyl-amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl-methyl-amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(4-bromo-2-ethyl-3-pyrazolyl)methyl-methylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(4-bromo-2-ethylpyrazol-3-yl)methyl-methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl-methyl-amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C14H18BrN5O3 MolecularWeight: 384.22842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CN(C)C(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCN1C(=C(C=N1)Br)CN(C)C(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C14H18BrN5O3/c1-3-19-12(10(15)8-17-19)9-18(2)13(21)5-7-20-11(14(22)23)4-6-16-20/h4,6,8H,3,5,7,9H2,1-2H3,(H,22,23)