3-(pyridin-2-ylamino)propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-(pyridin-2-ylamino)propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-(2-pyridylamino)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-(2-pyridinylamino)propyl ester IUPAC Name: 3-(pyridin-2-ylamino)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-(2-pyridylamino)propyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c24-19(27-26-11-5-10-22-18-8-3-4-9-21-18)13-17-12-15-6-1-2-7-16(15)14-23-20(17)25/h1-4,6-9,17H,5,10-14H2,(H,21,22)(H,23,25)