3-(pyridin-2-ylamino)propyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-(pyridin-2-ylamino)propyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-(2-pyridylamino)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-(2-pyridinylamino)propyl ester IUPAC Name: 3-(pyridin-2-ylamino)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-(2-pyridylamino)propyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2CC(C1=O)CC(=O)OOCCCNC3=CC=CC=N3

Isomeric SMILES

CN1CC2=CC=CC=C2CC(C1=O)CC(=O)OOCCCNC3=CC=CC=N3

InChI

InChI=1S/C21H25N3O4/c1-24-15-17-8-3-2-7-16(17)13-18(21(24)26)14-20(25)28-27-12-6-11-23-19-9-4-5-10-22-19/h2-5,7-10,18H,6,11-15H2,1H3,(H,22,23)