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

Systemtic Name: 2-(1,2-diazepin-1-ylamino)propyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 2-(diazepin-1-ylamino)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 2-(1-diazepinylamino)propyl ester IUPAC Name: 2-(diazepin-1-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 2-(diazepin-1-ylamino)propyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(COOC(=O)CC1CC2=CC=CC=C2CN(C1=O)C)NN3C=CC=CC=N3

Isomeric SMILES

CC(COOC(=O)CC1CC2=CC=CC=C2CN(C1=O)C)NN3C=CC=CC=N3

InChI

InChI=1S/C21H26N4O4/c1-16(23-25-11-7-3-6-10-22-25)15-28-29-20(26)13-19-12-17-8-4-5-9-18(17)14-24(2)21(19)27/h3-11,16,19,23H,12-15H2,1-2H3