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

Systemtic Name: 3-[(4-azanylpyridin-2-yl)amino]propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-[(4-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-[(4-amino-2-pyridinyl)amino]propyl ester IUPAC Name: 3-[(4-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-[(4-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=NC=CC(=C3)N

Isomeric SMILES

C1C(C(=O)NCC2=CC=CC=C21)CC(=O)OOCCCNC3=NC=CC(=C3)N

InChI

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