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

Systemtic Name: diethyl-[(2S)-1-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]ethyl]-diethyl-ammonium Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2/c1-3-31(4-2)23(19-21-13-7-5-8-14-21)20-29-27(33)26-24-17-11-12-18-25(24)28(34)32(30-26)22-15-9-6-10-16-22/h5-18,23H,3-4,19-20H2,1-2H3,(H,29,33)/p+1/t23-/m0/s1