methyl 2-(6-oxidanylidene-4-piperidin-1-yl-pyridazin-1-yl)-2-phenyl-ethanoate

Systemtic Name: methyl 2-(6-oxidanylidene-4-piperidin-1-yl-pyridazin-1-yl)-2-phenyl-ethanoate Openeye Name: methyl 2-[6-oxo-4-(1-piperidyl)pyridazin-1-yl]-2-phenyl-acetate CAS Name: 2-[6-oxo-4-(1-piperidinyl)-1-pyridazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-2-phenylacetate Traditional Name: 2-(6-keto-4-piperidino-pyridazin-1-yl)-2-phenyl-acetic acid methyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)N2C(=O)C=C(C=N2)N3CCCCC3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)N2C(=O)C=C(C=N2)N3CCCCC3

InChI

InChI=1S/C18H21N3O3/c1-24-18(23)17(14-8-4-2-5-9-14)21-16(22)12-15(13-19-21)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,17H,3,6-7,10-11H2,1H3