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

Systemtic Name: 2-[3-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl-methyl-amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(4-bromo-2-methyl-pyrazol-3-yl)methyl-methyl-amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(4-bromo-2-methyl-3-pyrazolyl)methyl-methylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(4-bromo-2-methylpyrazol-3-yl)methyl-methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(4-bromo-2-methyl-pyrazol-3-yl)methyl-methyl-amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C13H16BrN5O3 MolecularWeight: 370.20184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)CN(C)C(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CN1C(=C(C=N1)Br)CN(C)C(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C13H16BrN5O3/c1-17(8-11-9(14)7-16-18(11)2)12(20)4-6-19-10(13(21)22)3-5-15-19/h3,5,7H,4,6,8H2,1-2H3,(H,21,22)