diethyl-[3-[[3-(2-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl]azanium

Systemtic Name: diethyl-[3-[[3-(2-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl]azanium Openeye Name: diethyl-[3-[[3-(2-methoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[3-(2-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[4-keto-3-(2-methoxyphenyl)phthalazine-1-carbonyl]amino]propyl]ammonium Formula: C23H29N4O3+ MolecularWeight: 409.50136

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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=CC=C3OC

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3OC

InChI

InChI=1S/C23H28N4O3/c1-4-26(5-2)16-10-15-24-22(28)21-17-11-6-7-12-18(17)23(29)27(25-21)19-13-8-9-14-20(19)30-3/h6-9,11-14H,4-5,10,15-16H2,1-3H3,(H,24,28)/p+1