methyl 2-[6-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[6-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[6-oxo-3-[4-(4-pyridyl)piperazin-1-yl]pyridazin-1-yl]acetate CAS Name: 2-[6-oxo-3-(4-pyridin-4-yl-1-piperazinyl)-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[6-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)pyridazin-1-yl]acetate Traditional Name: 2-[6-keto-3-[4-(4-pyridyl)piperazino]pyridazin-1-yl]acetic acid methyl ester Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C=CC(=N1)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)CN1C(=O)C=CC(=N1)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C16H19N5O3/c1-24-16(23)12-21-15(22)3-2-14(18-21)20-10-8-19(9-11-20)13-4-6-17-7-5-13/h2-7H,8-12H2,1H3