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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O3/c1-12(22-11-14(8-18-22)16(24)25)15(23)21-5-3-20(4-6-21)10-13-7-17-19(2)9-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25)/p-1/t12-/m1/s1