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

Systemtic Name: diethyl-[(1S)-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-[(4-keto-3H-phthalazine-1-carbonyl)amino]-1-phenyl-ethyl]ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-3-25(4-2)18(15-10-6-5-7-11-15)14-22-21(27)19-16-12-8-9-13-17(16)20(26)24-23-19/h5-13,18H,3-4,14H2,1-2H3,(H,22,27)(H,24,26)/p+1/t18-/m1/s1