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

Systemtic Name: 2-(1-adamantyl)-5-[(4-bromophenyl)amino]-4-chloranyl-pyridazin-3-one Openeye Name: 2-(1-adamantyl)-5-(4-bromoanilino)-4-chloro-pyridazin-3-one CAS Name: 2-(1-adamantyl)-5-(4-bromoanilino)-4-chloro-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-5-(4-bromoanilino)-4-chloropyridazin-3-one Traditional Name: 2-(1-adamantyl)-5-(4-bromoanilino)-4-chloro-pyridazin-3-one Formula: C20H21BrClN3O MolecularWeight: 434.75724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3O/c21-15-1-3-16(4-2-15)24-17-11-23-25(19(26)18(17)22)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14,24H,5-10H2