methyl 2-[5-chloranyl-4-[3-(hydroxymethyl)piperidin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[3-(hydroxymethyl)piperidin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[3-(hydroxymethyl)-1-piperidyl]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[3-(hydroxymethyl)-1-piperidinyl]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[3-(hydroxymethyl)piperidin-1-yl]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-(3-methylolpiperidino)pyridazin-1-yl]benzoic acid methyl ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCCC(C3)CO)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCCC(C3)CO)Cl

InChI

InChI=1S/C18H20ClN3O4/c1-26-18(25)13-6-2-3-7-14(13)22-17(24)16(19)15(9-20-22)21-8-4-5-12(10-21)11-23/h2-3,6-7,9,12,23H,4-5,8,10-11H2,1H3