butyl-[2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethyl]-ethyl-azanium

Systemtic Name: butyl-[2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethyl]-ethyl-azanium Openeye Name: butyl-[2-[[3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]ethyl]-ethyl-ammonium CAS Name: butyl-[2-[[[3-(4-ethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]ethyl]-ethylammonium IUPAC Name: butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium Traditional Name: butyl-ethyl-[2-[(4-keto-3-p-phenetyl-phthalazine-1-carbonyl)amino]ethyl]ammonium Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCC[NH+](CC)CCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C25H32N4O3/c1-4-7-17-28(5-2)18-16-26-24(30)23-21-10-8-9-11-22(21)25(31)29(27-23)19-12-14-20(15-13-19)32-6-3/h8-15H,4-7,16-18H2,1-3H3,(H,26,30)/p+1