2-[4-(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(3-butyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(3-butyl-4-oxophthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(3-butyl-4-keto-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C22H29N5O3/c1-2-3-10-27-21(29)18-7-5-4-6-17(18)20(24-27)22(30)26-13-11-25(12-14-26)15-19(28)23-16-8-9-16/h4-7,16H,2-3,8-15H2,1H3,(H,23,28)/p+1