tert-butyl-[3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]propyl]azanium Openeye Name: 3-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]propyl-tert-butyl-ammonium CAS Name: tert-butyl-[3-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]propyl]ammonium IUPAC Name: 3-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]propyl-tert-butylazanium Traditional Name: 3-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]propyl-tert-butyl-ammonium Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2/c1-23(2,3)25-15-9-14-24-21(28)20-18-12-7-8-13-19(18)22(29)27(26-20)16-17-10-5-4-6-11-17/h4-8,10-13,25H,9,14-16H2,1-3H3,(H,24,28)/p+1