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

Systemtic Name: diethyl-[3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]propyl]azanium Openeye Name: 3-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]propyl-diethyl-ammonium CAS Name: diethyl-[3-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]propyl]ammonium IUPAC Name: 3-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]propyl-diethylazanium Traditional Name: 3-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]propyl-diethyl-ammonium Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2/c1-3-26(4-2)16-10-15-24-22(28)21-19-13-8-9-14-20(19)23(29)27(25-21)17-18-11-6-5-7-12-18/h5-9,11-14H,3-4,10,15-17H2,1-2H3,(H,24,28)/p+1