4-(5-oxidanylidenepyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 4-(5-oxidanylidenepyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(5-oxo-6-pyrido[2,3-b][1,5]benzoxazepinyl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(5-ketopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-pyridylmethyl)butyramide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C3=C(O2)N=CC=C3)CCCC(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C3=C(O2)N=CC=C3)CCCC(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H20N4O3/c27-20(25-15-16-7-3-4-12-23-16)11-6-14-26-18-9-1-2-10-19(18)29-21-17(22(26)28)8-5-13-24-21/h1-5,7-10,12-13H,6,11,14-15H2,(H,25,27)