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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(4-propan-2-ylphenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(4-isopropylanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(4-propan-2-ylanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(4-propan-2-ylanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-cumidino-pyridazin-3-one Formula: C23H28ClN3O MolecularWeight: 397.94092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O/c1-14(2)18-3-5-19(6-4-18)26-20-13-25-27(22(28)21(20)24)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,13-17,26H,7-12H2,1-2H3