N-tert-butyl-2-[4-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-ethyl-4-oxo-phthalazine-1-carbonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-ethyl-4-oxophthalazine-1-carbonyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-ethyl-4-keto-phthalazine-1-carbonyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H31N5O3/c1-5-27-20(29)17-10-7-6-9-16(17)19(24-27)21(30)26-12-8-11-25(13-14-26)15-18(28)23-22(2,3)4/h6-7,9-10H,5,8,11-15H2,1-4H3,(H,23,28)/p+1