3-[[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[3-(4-ethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(4-keto-3-p-phenetyl-phthalazine-1-carbonyl)amino]propyl]ammonium Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3/c1-4-27(5-2)17-9-16-25-23(29)22-20-10-7-8-11-21(20)24(30)28(26-22)18-12-14-19(15-13-18)31-6-3/h7-8,10-15H,4-6,9,16-17H2,1-3H3,(H,25,29)/p+1