1-[(2R)-1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2R)-1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1R)-2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2R)-1-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1R)-2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylate Formula: C17H23N6O3- MolecularWeight: 359.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=O)C(C)N3C=CC(=N3)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=O)[C@@H](C)N3C=CC(=N3)C(=O)[O-])C

InChI

InChI=1S/C17H24N6O3/c1-12-14(10-20(3)18-12)11-21-6-8-22(9-7-21)16(24)13(2)23-5-4-15(19-23)17(25)26/h4-5,10,13H,6-9,11H2,1-3H3,(H,25,26)/p-1/t13-/m1/s1