N-(5-butyl-6-methyl-6H-[1,2,3]oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxy-benzamide

Systemtic Name: N-(5-butyl-6-methyl-6H-[1,2,3]oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxy-benzamide Openeye Name: N-(5-butyl-6-methyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxy-benzamide CAS Name: N-(5-butyl-6-methyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxybenzamide IUPAC Name: N-(5-butyl-6-methyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxybenzamide Traditional Name: N-(5-butyl-6-methyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxy-benzamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2C3=C(ON=[N+]31)NC(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCCCN1C(C2=CC=CC=C2C3=C(ON=[N+]31)NC(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C22H24N4O3/c1-4-5-14-25-15(2)18-8-6-7-9-19(18)20-22(29-24-26(20)25)23-21(27)16-10-12-17(28-3)13-11-16/h6-13,15H,4-5,14H2,1-3H3/p+1