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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(3-chlorophenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(3-chloroanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(3-chloroanilino)pyridazin-3-one Formula: C20H21Cl2N3O MolecularWeight: 390.30624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC(=CC=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC(=CC=C5)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O/c21-15-2-1-3-16(7-15)24-17-11-23-25(19(26)18(17)22)20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,11-14,24H,4-6,8-10H2