3-[4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoate

Systemtic Name: 3-[4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoate Openeye Name: 3-[4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoate CAS Name: 3-[4-[[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoate Traditional Name: 3-[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)CCC(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O3/c1-3-24-14(2)15(10-20-24)12-21-6-8-22(9-7-21)18(27)16-11-19-23(13-16)5-4-17(25)26/h10-11,13H,3-9,12H2,1-2H3,(H,25,26)/p-1