2-(1-adamantyl)-5-[(4-bromanyl-3-methyl-phenyl)amino]-4-chloranyl-pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-5-[(4-bromanyl-3-methyl-phenyl)amino]-4-chloranyl-pyridazin-3-one Openeye Name: 2-(1-adamantyl)-5-(4-bromo-3-methyl-anilino)-4-chloro-pyridazin-3-one CAS Name: 2-(1-adamantyl)-5-(4-bromo-3-methylanilino)-4-chloro-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-5-(4-bromo-3-methylanilino)-4-chloropyridazin-3-one Traditional Name: 2-(1-adamantyl)-5-(4-bromo-3-methyl-anilino)-4-chloro-pyridazin-3-one Formula: C21H23BrClN3O MolecularWeight: 448.78382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O/c1-12-4-16(2-3-17(12)22)25-18-11-24-26(20(27)19(18)23)21-8-13-5-14(9-21)7-15(6-13)10-21/h2-4,11,13-15,25H,5-10H2,1H3