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

Systemtic Name: 3-[[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]propyl]-ethyl-ammonium CAS Name: 3-[[[3-(4-ethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]-ethylazanium Traditional Name: benzyl-ethyl-[3-[(4-keto-3-p-phenetyl-phthalazine-1-carbonyl)amino]propyl]ammonium Formula: C29H33N4O3+ MolecularWeight: 485.59732

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OCC)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+](CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N4O3/c1-3-32(21-22-11-6-5-7-12-22)20-10-19-30-28(34)27-25-13-8-9-14-26(25)29(35)33(31-27)23-15-17-24(18-16-23)36-4-2/h5-9,11-18H,3-4,10,19-21H2,1-2H3,(H,30,34)/p+1