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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(4-ethoxyphenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(4-ethoxyanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(4-ethoxyanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(4-ethoxyanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(p-phenetidino)pyridazin-3-one Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2/c1-2-28-18-5-3-17(4-6-18)25-19-13-24-26(21(27)20(19)23)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16,25H,2,7-12H2,1H3