3-[(6-azanylpyridin-2-yl)amino]propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-[(6-azanylpyridin-2-yl)amino]propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-[(6-amino-2-pyridyl)amino]propyl 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 3-[(6-amino-2-pyridinyl)amino]propyl ester IUPAC Name: 3-[(6-aminopyridin-2-yl)amino]propyl 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 3-[(6-amino-2-pyridyl)amino]propyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NCC2=CC=CC=C21)CC(=O)OOCCCNC3=CC=CC(=N3)N

Isomeric SMILES

C1C(C(=O)NCC2=CC=CC=C21)CC(=O)OOCCCNC3=CC=CC(=N3)N

InChI

InChI=1S/C20H24N4O4/c21-17-7-3-8-18(24-17)22-9-4-10-27-28-19(25)12-16-11-14-5-1-2-6-15(14)13-23-20(16)26/h1-3,5-8,16H,4,9-13H2,(H,23,26)(H3,21,22,24)