methyl 2-[4-(4-aminocarbonylpiperidin-1-yl)-5-bromanyl-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(4-aminocarbonylpiperidin-1-yl)-5-bromanyl-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[5-bromo-4-(4-carbamoyl-1-piperidyl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-4-(4-carbamoyl-1-piperidinyl)-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-4-(4-carbamoylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-bromo-4-(4-carbamoylpiperidino)-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C13H17BrN4O4 MolecularWeight: 373.20248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C=N1)N2CCC(CC2)C(=O)N)Br

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C=N1)N2CCC(CC2)C(=O)N)Br

InChI

InChI=1S/C13H17BrN4O4/c1-22-10(19)7-18-13(21)11(14)9(6-16-18)17-4-2-8(3-5-17)12(15)20/h6,8H,2-5,7H2,1H3,(H2,15,20)