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

Systemtic Name: methyl 2-[5-chloranyl-4-[(2-cyclopentyloxypyridin-3-yl)methylamino]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[[2-(cyclopentoxy)-3-pyridyl]methylamino]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[(2-cyclopentyloxypyridin-3-yl)methylamino]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-4-[[2-(cyclopentoxy)-3-pyridyl]methylamino]-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C23H23ClN4O4 MolecularWeight: 454.90612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCC3=C(N=CC=C3)OC4CCCC4)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCC3=C(N=CC=C3)OC4CCCC4)Cl

InChI

InChI=1S/C23H23ClN4O4/c1-31-23(30)17-10-4-5-11-19(17)28-22(29)20(24)18(14-27-28)26-13-15-7-6-12-25-21(15)32-16-8-2-3-9-16/h4-7,10-12,14,16,26H,2-3,8-9,13H2,1H3