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

Systemtic Name: N-(5-butyl-6H-[1,2,3]oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxy-benzamide Openeye Name: N-(5-butyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxy-benzamide CAS Name: N-(5-butyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxybenzamide IUPAC Name: N-(5-butyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxybenzamide Traditional Name: N-(5-butyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)-4-methoxy-benzamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=CC=CC=C2C3=C(ON=[N+]31)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1CC2=CC=CC=C2C3=C(ON=[N+]31)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N4O3/c1-3-4-13-24-14-16-7-5-6-8-18(16)19-21(28-23-25(19)24)22-20(26)15-9-11-17(27-2)12-10-15/h5-12H,3-4,13-14H2,1-2H3/p+1