1-[(2R)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2R)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1R)-2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2R)-1-[4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1R)-2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C17H23N6O3- MolecularWeight: 359.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)C(=O)C(C)N3C=C(C=N3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)C(=O)[C@@H](C)N3C=C(C=N3)C(=O)[O-]

InChI

InChI=1S/C17H24N6O3/c1-12-14(8-18-20(12)3)10-21-4-6-22(7-5-21)16(24)13(2)23-11-15(9-19-23)17(25)26/h8-9,11,13H,4-7,10H2,1-3H3,(H,25,26)/p-1/t13-/m1/s1