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

Systemtic Name: 2-[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propylamino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C15H20ClN5O3 MolecularWeight: 353.804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)CCN2C(=CC=N2)C(=O)O)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)CCN2C(=CC=N2)C(=O)O)C)Cl

InChI

InChI=1S/C15H20ClN5O3/c1-10-14(16)11(2)20(19-10)8-3-6-17-13(22)5-9-21-12(15(23)24)4-7-18-21/h4,7H,3,5-6,8-9H2,1-2H3,(H,17,22)(H,23,24)