diethyl-[[2-[[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]methyl]benzyl]ammonium Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-3-30(4-2)19-21-13-9-8-12-20(21)18-28-26(32)25-23-16-10-11-17-24(23)27(33)31(29-25)22-14-6-5-7-15-22/h5-17H,3-4,18-19H2,1-2H3,(H,28,32)/p+1