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

Systemtic Name: 2-[3-[5-chloranyl-6-oxidanylidene-4-(propan-2-ylamino)pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-4-(isopropylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-6-oxo-4-(propan-2-ylamino)-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[5-chloro-4-(isopropylamino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C19H26ClN3O3 MolecularWeight: 379.88104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)O)Cl

Isomeric SMILES

CC(C)NC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)O)Cl

InChI

InChI=1S/C19H26ClN3O3/c1-11(2)22-14-9-21-23(17(26)16(14)20)19-6-12-3-13(7-19)5-18(4-12,10-19)8-15(24)25/h9,11-13,22H,3-8,10H2,1-2H3,(H,24,25)