3-[(4-azanylpyridin-2-yl)amino]propyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-[(4-azanylpyridin-2-yl)amino]propyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-[(4-amino-2-pyridyl)amino]propyl 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)peroxyacetate CAS Name: 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoic acid 3-[(4-amino-2-pyridinyl)amino]propyl ester IUPAC Name: 3-[(4-aminopyridin-2-yl)amino]propyl 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Traditional Name: 2-(3-keto-2-methyl-4,5-dihydro-1H-2-benzazepin-4-yl)peracetic acid 3-[(4-amino-2-pyridyl)amino]propyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2CC(C1=O)CC(=O)OOCCCNC3=NC=CC(=C3)N

Isomeric SMILES

CN1CC2=CC=CC=C2CC(C1=O)CC(=O)OOCCCNC3=NC=CC(=C3)N

InChI

InChI=1S/C21H26N4O4/c1-25-14-16-6-3-2-5-15(16)11-17(21(25)27)12-20(26)29-28-10-4-8-23-19-13-18(22)7-9-24-19/h2-3,5-7,9,13,17H,4,8,10-12,14H2,1H3,(H3,22,23,24)