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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O3/c1-3-22-11-14(8-18-22)10-20-4-6-21(7-5-20)16(24)13(2)23-12-15(9-19-23)17(25)26/h8-9,11-13H,3-7,10H2,1-2H3,(H,25,26)/p-1/t13-/m0/s1