1-[3-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylate

Systemtic Name: 1-[3-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylate Openeye Name: 1-[3-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-3-oxo-propyl]pyrazole-3-carboxylate CAS Name: 1-[3-[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-3-oxopropyl]-3-pyrazolecarboxylate IUPAC Name: 1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylate Traditional Name: 1-[3-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazino]-3-keto-propyl]pyrazole-3-carboxylate Formula: C18H25N6O3- MolecularWeight: 373.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=O)CCN3C=CC(=N3)C(=O)[O-])C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=O)CCN3C=CC(=N3)C(=O)[O-])C

InChI

InChI=1S/C18H26N6O3/c1-3-24-14(2)15(12-19-24)13-21-8-10-22(11-9-21)17(25)5-7-23-6-4-16(20-23)18(26)27/h4,6,12H,3,5,7-11,13H2,1-2H3,(H,26,27)/p-1