2-[3-[5-chloranyl-6-oxidanylidene-4-[(phenylmethyl)amino]pyridazin-1-yl]-1-adamantyl]ethanoic acid

Systemtic Name: 2-[3-[5-chloranyl-6-oxidanylidene-4-[(phenylmethyl)amino]pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[4-(benzylamino)-5-chloro-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-6-oxo-4-[(phenylmethyl)amino]-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[4-(benzylamino)-5-chloro-6-keto-pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C23H26ClN3O3 MolecularWeight: 427.92384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5)Cl)CC(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5)Cl)CC(=O)O

InChI

InChI=1S/C23H26ClN3O3/c24-20-18(25-12-15-4-2-1-3-5-15)13-26-27(21(20)30)23-9-16-6-17(10-23)8-22(7-16,14-23)11-19(28)29/h1-5,13,16-17,25H,6-12,14H2,(H,28,29)