1-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1S)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2S)-1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1S)-2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)N2C=C(C=N2)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C13H20N4O3/c1-3-15-4-6-16(7-5-15)12(18)10(2)17-9-11(8-14-17)13(19)20/h8-10H,3-7H2,1-2H3,(H,19,20)/t10-/m0/s1