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

Systemtic Name: ethyl-[3-[[3-(2-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[3-[[3-(2-methoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]propyl]ammonium CAS Name: ethyl-[3-[[[3-(2-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[3-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]azanium Traditional Name: benzyl-ethyl-[3-[[4-keto-3-(2-methoxyphenyl)phthalazine-1-carbonyl]amino]propyl]ammonium Formula: C28H31N4O3+ MolecularWeight: 471.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3OC)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+](CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3OC)CC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O3/c1-3-31(20-21-12-5-4-6-13-21)19-11-18-29-27(33)26-22-14-7-8-15-23(22)28(34)32(30-26)24-16-9-10-17-25(24)35-2/h4-10,12-17H,3,11,18-20H2,1-2H3,(H,29,33)/p+1