2-(1-adamantyl)-4-chloranyl-5-[(2,5-dimethoxyphenyl)methylamino]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(2,5-dimethoxyphenyl)methylamino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[(2,5-dimethoxyphenyl)methylamino]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[(2,5-dimethoxyphenyl)methylamino]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[(2,5-dimethoxyphenyl)methylamino]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[(2,5-dimethoxybenzyl)amino]pyridazin-3-one Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H28ClN3O3/c1-29-18-3-4-20(30-2)17(8-18)12-25-19-13-26-27(22(28)21(19)24)23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,13-16,25H,5-7,9-12H2,1-2H3