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

Systemtic Name: ethyl 4-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O3/c1-2-30-22(29)17-3-5-18(6-4-17)26-19-13-25-27(21(28)20(19)24)23-10-14-7-15(11-23)9-16(8-14)12-23/h3-6,13-16,26H,2,7-12H2,1H3