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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=O)CCN2C(=CC=N2)C(=O)O

InChI

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