N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)quinoxaline-2-carboxamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)quinoxaline-2-carboxamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)quinoxaline-2-carboxamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-quinoxalinecarboxamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)quinoxaline-2-carboxamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)quinoxaline-2-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C22H22N4O3/c1-4-26-18-10-9-14(11-19(18)29-13-22(2,3)21(26)28)24-20(27)17-12-23-15-7-5-6-8-16(15)25-17/h5-12H,4,13H2,1-3H3,(H,24,27)