2-[3-[3-(4-bromanylpyrazol-1-yl)propylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[3-(4-bromanylpyrazol-1-yl)propylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[3-(4-bromopyrazol-1-yl)propylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[3-(4-bromo-1-pyrazolyl)propylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[3-(4-bromopyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[3-(4-bromopyrazol-1-yl)propylamino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C13H16BrN5O3 MolecularWeight: 370.20184

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N(N=C1)CCC(=O)NCCCN2C=C(C=N2)Br)C(=O)O

Isomeric SMILES

C1=C(N(N=C1)CCC(=O)NCCCN2C=C(C=N2)Br)C(=O)O

InChI

InChI=1S/C13H16BrN5O3/c14-10-8-17-18(9-10)6-1-4-15-12(20)3-7-19-11(13(21)22)2-5-16-19/h2,5,8-9H,1,3-4,6-7H2,(H,15,20)(H,21,22)