(2S)-2-[4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoate

Systemtic Name: (2S)-2-[4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoate Openeye Name: (2S)-2-[4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoate CAS Name: (2S)-2-[4-[[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: (2S)-2-[4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoate Traditional Name: (2S)-2-[4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propionate Formula: C18H25N6O3- MolecularWeight: 373.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=O)C3=CN(N=C3)C(C)C(=O)[O-])C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=O)C3=CN(N=C3)[C@@H](C)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)16-10-20-24(12-16)14(3)18(26)27/h9-10,12,14H,4-8,11H2,1-3H3,(H,26,27)/p-1/t14-/m0/s1