2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]ethyl-diisopropyl-ammonium Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2/c1-17(2)27(18(3)4)15-14-25-23(29)22-20-12-8-9-13-21(20)24(30)28(26-22)16-19-10-6-5-7-11-19/h5-13,17-18H,14-16H2,1-4H3,(H,25,29)/p+1