2-[6-[2-(methylamino)-2-pyridin-2-yl-ethoxy]-3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl]ethanoate

Systemtic Name: 2-[6-[2-(methylamino)-2-pyridin-2-yl-ethoxy]-3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl]ethanoate Openeye Name: 2-[6-[2-(methylamino)-2-(2-pyridyl)ethoxy]-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]acetate CAS Name: 2-[6-[2-(methylamino)-2-(2-pyridinyl)ethoxy]-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]acetate IUPAC Name: 2-[6-[2-(methylamino)-2-pyridin-2-ylethoxy]-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]acetate Traditional Name: 2-[3-keto-6-[2-(methylamino)-2-(2-pyridyl)ethoxy]-1,2,4,5-tetrahydro-2-benzazepin-4-yl]acetate Formula: C20H22N3O4- MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

CNC(COC1=CC=CC2=C1CC(C(=O)NC2)CC(=O)[O-])C3=CC=CC=N3

Isomeric SMILES

CNC(COC1=CC=CC2=C1CC(C(=O)NC2)CC(=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C20H23N3O4/c1-21-17(16-6-2-3-8-22-16)12-27-18-7-4-5-13-11-23-20(26)14(9-15(13)18)10-19(24)25/h2-8,14,17,21H,9-12H2,1H3,(H,23,26)(H,24,25)/p-1