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

Systemtic Name: 2-[4-oxidanylidene-3-[2-oxidanylidene-2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]ethanoate Openeye Name: 2-[4-oxo-3-[2-oxo-2-[2-(2-pyridylamino)ethylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate CAS Name: 2-[4-oxo-3-[2-oxo-2-[2-(2-pyridinylamino)ethylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate IUPAC Name: 2-[4-oxo-3-[2-oxo-2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate Traditional Name: 2-[4-keto-3-[2-keto-2-[2-(2-pyridylamino)ethylamino]ethyl]-2,5-dihydro-1H-3-benzazepin-5-yl]acetate Formula: C21H23N4O4- MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(C2=CC=CC=C21)CC(=O)[O-])CC(=O)NCCNC3=CC=CC=N3

Isomeric SMILES

C1CN(C(=O)C(C2=CC=CC=C21)CC(=O)[O-])CC(=O)NCCNC3=CC=CC=N3

InChI

InChI=1S/C21H24N4O4/c26-19(24-11-10-23-18-7-3-4-9-22-18)14-25-12-8-15-5-1-2-6-16(15)17(21(25)29)13-20(27)28/h1-7,9,17H,8,10-14H2,(H,22,23)(H,24,26)(H,27,28)/p-1