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

Systemtic Name: 1-[(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1R)-1-methyl-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2R)-1-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazino]ethyl]pyrazole-3-carboxylate Formula: C16H21N6O3- MolecularWeight: 345.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CN(N=C2)C)N3C=CC(=N3)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)CC2=CN(N=C2)C)N3C=CC(=N3)C(=O)[O-]

InChI

InChI=1S/C16H22N6O3/c1-12(22-4-3-14(18-22)16(24)25)15(23)21-7-5-20(6-8-21)11-13-9-17-19(2)10-13/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,24,25)/p-1/t12-/m1/s1