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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=O)CCN3C=CC(=N3)C(=O)O)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=O)CCN3C=CC(=N3)C(=O)O)C

InChI

InChI=1S/C17H24N6O3/c1-13-14(11-20(2)18-13)12-21-7-9-22(10-8-21)16(24)4-6-23-5-3-15(19-23)17(25)26/h3,5,11H,4,6-10,12H2,1-2H3,(H,25,26)