ethyl 2-[4-[6-(methylamino)pyridin-2-yl]-3-oxidanylidene-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]ethaneperoxoate

Systemtic Name: ethyl 2-[4-[6-(methylamino)pyridin-2-yl]-3-oxidanylidene-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]ethaneperoxoate Openeye Name: ethyl 2-[4-[6-(methylamino)-2-pyridyl]-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]peroxyacetate CAS Name: 2-[4-[6-(methylamino)-2-pyridinyl]-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]ethaneperoxoic acid ethyl ester IUPAC Name: ethyl 2-[4-[6-(methylamino)pyridin-2-yl]-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]ethaneperoxoate Traditional Name: 2-[3-keto-4-[6-(methylamino)-2-pyridyl]-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]peracetic acid ethyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CCOOC(=O)CC1(CC2=CC=CC=C2CN(C1=O)CCC3=CC=CC=C3)C4=NC(=CC=C4)NC

Isomeric SMILES

CCOOC(=O)CC1(CC2=CC=CC=C2CN(C1=O)CCC3=CC=CC=C3)C4=NC(=CC=C4)NC

InChI

InChI=1S/C28H31N3O4/c1-3-34-35-26(32)19-28(24-14-9-15-25(29-2)30-24)18-22-12-7-8-13-23(22)20-31(27(28)33)17-16-21-10-5-4-6-11-21/h4-15H,3,16-20H2,1-2H3,(H,29,30)