2-(1-adamantyl)-4-chloranyl-5-[(2,5-diethoxyphenyl)amino]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(2,5-diethoxyphenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(2,5-diethoxyanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(2,5-diethoxyanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(2,5-diethoxyanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(2,5-diethoxyanilino)pyridazin-3-one Formula: C24H30ClN3O3 MolecularWeight: 443.9663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C24H30ClN3O3/c1-3-30-18-5-6-21(31-4-2)19(10-18)27-20-14-26-28(23(29)22(20)25)24-11-15-7-16(12-24)9-17(8-15)13-24/h5-6,10,14-17,27H,3-4,7-9,11-13H2,1-2H3