2-[1-[2-(8-cyano-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoyl]piperidin-4-yl]oxyethanoate

Systemtic Name: 2-[1-[2-(8-cyano-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoyl]piperidin-4-yl]oxyethanoate Openeye Name: 2-[[1-[2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-1-oxopropyl]-4-piperidinyl]oxy]acetate IUPAC Name: 2-[1-[2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[2-(8-cyano-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoyl]-4-piperidyl]oxy]acetate Formula: C20H22N3O6- MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)OCC(=O)[O-])N2CCOC3=C(C2=O)C=CC(=C3)C#N

Isomeric SMILES

CC(C(=O)N1CCC(CC1)OCC(=O)[O-])N2CCOC3=C(C2=O)C=CC(=C3)C#N

InChI

InChI=1S/C20H23N3O6/c1-13(19(26)22-6-4-15(5-7-22)29-12-18(24)25)23-8-9-28-17-10-14(11-21)2-3-16(17)20(23)27/h2-3,10,13,15H,4-9,12H2,1H3,(H,24,25)/p-1