2-[4-oxidanylidene-3-[2-oxidanylidene-2-[3-(pyridin-2-ylamino)propylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]ethanoate

Systemtic Name: 2-[4-oxidanylidene-3-[2-oxidanylidene-2-[3-(pyridin-2-ylamino)propylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]ethanoate Openeye Name: 2-[4-oxo-3-[2-oxo-2-[3-(2-pyridylamino)propylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate CAS Name: 2-[4-oxo-3-[2-oxo-2-[3-(2-pyridinylamino)propylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate IUPAC Name: 2-[4-oxo-3-[2-oxo-2-[3-(pyridin-2-ylamino)propylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate Traditional Name: 2-[4-keto-3-[2-keto-2-[3-(2-pyridylamino)propylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate Formula: C22H25N4O4- MolecularWeight: 409.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(C2=CC=CC=C21)CC(=O)[O-])CC(=O)NCCCNC3=CC=CC=N3

Isomeric SMILES

C1CN(C(=O)C(C2=CC=CC=C21)CC(=O)[O-])CC(=O)NCCCNC3=CC=CC=N3

InChI

InChI=1S/C22H26N4O4/c27-20(25-12-5-11-24-19-8-3-4-10-23-19)15-26-13-9-16-6-1-2-7-17(16)18(22(26)30)14-21(28)29/h1-4,6-8,10,18H,5,9,11-15H2,(H,23,24)(H,25,27)(H,28,29)/p-1