1-[(2S)-1-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2S)-1-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1S)-2-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2S)-1-[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1S)-2-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C18H26N6O3 MolecularWeight: 374.43744

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O3/c1-4-23-13(2)15(9-19-23)11-21-5-7-22(8-6-21)17(25)14(3)24-12-16(10-20-24)18(26)27/h9-10,12,14H,4-8,11H2,1-3H3,(H,26,27)/t14-/m0/s1