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

Systemtic Name: diethyl-[(1S)-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-1-phenyl-ethyl]ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2/c1-4-26(5-2)19(16-11-7-6-8-12-16)15-23-21(27)20-17-13-9-10-14-18(17)22(28)25(3)24-20/h6-14,19H,4-5,15H2,1-3H3,(H,23,27)/p+1/t19-/m1/s1