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

Systemtic Name: 2-[4-oxidanylidene-3-[2-oxidanylidene-2-[4-(pyridin-2-ylamino)butylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]ethanoate Openeye Name: 2-[4-oxo-3-[2-oxo-2-[4-(2-pyridylamino)butylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate CAS Name: 2-[4-oxo-3-[2-oxo-2-[4-(2-pyridinylamino)butylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate IUPAC Name: 2-[4-oxo-3-[2-oxo-2-[4-(pyridin-2-ylamino)butylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate Traditional Name: 2-[4-keto-3-[2-keto-2-[4-(2-pyridylamino)butylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate Formula: C23H27N4O4- MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(C2=CC=CC=C21)CC(=O)[O-])CC(=O)NCCCCNC3=CC=CC=N3

Isomeric SMILES

C1CN(C(=O)C(C2=CC=CC=C21)CC(=O)[O-])CC(=O)NCCCCNC3=CC=CC=N3

InChI

InChI=1S/C23H28N4O4/c28-21(26-13-6-5-12-25-20-9-3-4-11-24-20)16-27-14-10-17-7-1-2-8-18(17)19(23(27)31)15-22(29)30/h1-4,7-9,11,19H,5-6,10,12-16H2,(H,24,25)(H,26,28)(H,29,30)/p-1