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

Systemtic Name: 1-[(2S)-1-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-[4-[(1-ethyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-[4-[(1-ethylpyrazol-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:

CCN1C=C(C=N1)CN2CCN(CC2)C(=O)C(C)N3C=CC(=N3)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)CN2CCN(CC2)C(=O)[C@H](C)N3C=CC(=N3)C(=O)[O-]

InChI

InChI=1S/C17H24N6O3/c1-3-22-12-14(10-18-22)11-20-6-8-21(9-7-20)16(24)13(2)23-5-4-15(19-23)17(25)26/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,25,26)/p-1/t13-/m0/s1