4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazino]-4-keto-butyrate Formula: C15H23N4O3- MolecularWeight: 307.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O3/c1-3-19-12(2)13(10-16-19)11-17-6-8-18(9-7-17)14(20)4-5-15(21)22/h10H,3-9,11H2,1-2H3,(H,21,22)/p-1