(phenylmethyl) 4-[5-chloranyl-1-(2-ethoxy-2-oxidanylidene-ethyl)-6-oxidanylidene-pyridazin-4-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-chloranyl-1-(2-ethoxy-2-oxidanylidene-ethyl)-6-oxidanylidene-pyridazin-4-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-chloro-1-(2-ethoxy-2-oxo-ethyl)-6-oxo-pyridazin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-chloro-1-(2-ethoxy-2-oxoethyl)-6-oxo-4-pyridazinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-chloro-1-(2-ethoxy-2-oxoethyl)-6-oxopyridazin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-chloro-1-(2-ethoxy-2-keto-ethyl)-6-keto-pyridazin-4-yl]piperazine-1-carboxylic acid benzyl ester Formula: C20H23ClN4O5 MolecularWeight: 434.87342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(=C(C=N1)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)CN1C(=O)C(=C(C=N1)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H23ClN4O5/c1-2-29-17(26)13-25-19(27)18(21)16(12-22-25)23-8-10-24(11-9-23)20(28)30-14-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13-14H2,1H3