2-(1-adamantyl)-4-chloranyl-5-(2-phenylpropylamino)pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-(2-phenylpropylamino)pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(2-phenylpropylamino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(2-phenylpropylamino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(2-phenylpropylamino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(2-phenylpropylamino)pyridazin-3-one Formula: C23H28ClN3O MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

Isomeric SMILES

CC(CNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H28ClN3O/c1-15(19-5-3-2-4-6-19)13-25-20-14-26-27(22(28)21(20)24)23-10-16-7-17(11-23)9-18(8-16)12-23/h2-6,14-18,25H,7-13H2,1H3