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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C22H29N5O3/c1-15(2)13-27-21(29)18-6-4-3-5-17(18)20(24-27)22(30)26-11-9-25(10-12-26)14-19(28)23-16-7-8-16/h3-6,15-16H,7-14H2,1-2H3,(H,23,28)/p+1