methyl 4-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzoate Openeye Name: methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoate CAS Name: 4-[[1-(1-adamantyl)-5-chloro-6-oxo-4-pyridazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate Traditional Name: 4-[[1-(1-adamantyl)-5-chloro-6-keto-pyridazin-4-yl]amino]benzoic acid methyl ester Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C22H24ClN3O3/c1-29-21(28)16-2-4-17(5-3-16)25-18-12-24-26(20(27)19(18)23)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,12-15,25H,6-11H2,1H3