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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(3-methylphenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(3-methylanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(3-methylanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(3-methylanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(m-toluidino)pyridazin-3-one Formula: C21H24ClN3O MolecularWeight: 369.88776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C21H24ClN3O/c1-13-3-2-4-17(5-13)24-18-12-23-25(20(26)19(18)22)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,12,14-16,24H,6-11H2,1H3