ethyl 4-[[1-(3-acetamido-1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[1-(3-acetamido-1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[1-(3-acetamido-1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoate CAS Name: 4-[[1-(3-acetamido-1-adamantyl)-5-chloro-6-oxo-4-pyridazinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-acetamido-1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate Traditional Name: 4-[[1-(3-acetamido-1-adamantyl)-5-chloro-6-keto-pyridazin-4-yl]amino]benzoic acid ethyl ester Formula: C25H29ClN4O4 MolecularWeight: 484.97516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O4/c1-3-34-23(33)18-4-6-19(7-5-18)28-20-13-27-30(22(32)21(20)26)25-11-16-8-17(12-25)10-24(9-16,14-25)29-15(2)31/h4-7,13,16-17,28H,3,8-12,14H2,1-2H3,(H,29,31)