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

Systemtic Name: 2-(1-adamantyl)-5-(azepan-1-yl)-4-chloranyl-pyridazin-3-one Openeye Name: 2-(1-adamantyl)-5-(azepan-1-yl)-4-chloro-pyridazin-3-one CAS Name: 2-(1-adamantyl)-5-(1-azepanyl)-4-chloro-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-5-(azepan-1-yl)-4-chloropyridazin-3-one Traditional Name: 2-(1-adamantyl)-5-(azepan-1-yl)-4-chloro-pyridazin-3-one Formula: C20H28ClN3O MolecularWeight: 361.90882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C20H28ClN3O/c21-18-17(23-5-3-1-2-4-6-23)13-22-24(19(18)25)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-16H,1-12H2