2-(1H-benzimidazol-2-yl)ethyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 2-(1H-benzimidazol-2-yl)ethyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 2-(1H-benzimidazol-2-yl)ethyl 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)peroxyacetate CAS Name: 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoic acid 2-(1H-benzimidazol-2-yl)ethyl ester IUPAC Name: 2-(1H-benzimidazol-2-yl)ethyl 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Traditional Name: 2-(3-keto-1,2,4,5-tetrahydro-2-benzazepin-4-yl)peracetic acid 2-(1H-benzimidazol-2-yl)ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NCC2=CC=CC=C21)CC(=O)OOCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C(C(=O)NCC2=CC=CC=C21)CC(=O)OOCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N3O4/c25-20(12-16-11-14-5-1-2-6-15(14)13-22-21(16)26)28-27-10-9-19-23-17-7-3-4-8-18(17)24-19/h1-8,16H,9-13H2,(H,22,26)(H,23,24)