3-pyridin-4-ylpropyl 2-(3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-pyridin-4-ylpropyl 2-(3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-(4-pyridyl)propyl 2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)peroxyacetate CAS Name: 2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoic acid 3-pyridin-4-ylpropyl ester IUPAC Name: 3-pyridin-4-ylpropyl 2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Traditional Name: 2-(3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)peracetic acid 3-(4-pyridyl)propyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=CC=CC=C21)CCC3=CC=CC=C3)CC(=O)OOCCCC4=CC=NC=C4

Isomeric SMILES

C1C(C(=O)N(CC2=CC=CC=C21)CCC3=CC=CC=C3)CC(=O)OOCCCC4=CC=NC=C4

InChI

InChI=1S/C28H30N2O4/c31-27(34-33-18-6-9-23-12-15-29-16-13-23)20-26-19-24-10-4-5-11-25(24)21-30(28(26)32)17-14-22-7-2-1-3-8-22/h1-5,7-8,10-13,15-16,26H,6,9,14,17-21H2