1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazino]-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C17H24N6O3 MolecularWeight: 360.41086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)C(=O)CCN3C=C(C=N3)C(=O)O

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)C(=O)CCN3C=C(C=N3)C(=O)O

InChI

InChI=1S/C17H24N6O3/c1-13-14(9-18-20(13)2)11-21-5-7-22(8-6-21)16(24)3-4-23-12-15(10-19-23)17(25)26/h9-10,12H,3-8,11H2,1-2H3,(H,25,26)