1-[(2S)-1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2S)-1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C18H26N6O3 MolecularWeight: 374.43744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O3/c1-4-23-12-15(13(2)19-23)11-21-7-9-22(10-8-21)17(25)14(3)24-6-5-16(20-24)18(26)27/h5-6,12,14H,4,7-11H2,1-3H3,(H,26,27)/t14-/m0/s1