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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]quinoxaline-2-carboxamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)quinoxaline-2-carboxamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]quinoxaline-2-carboxamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)quinoxaline-2-carboxamide Formula: C24H26N4O3 MolecularWeight: 418.48824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C24H26N4O3/c1-15(2)13-28-20-10-9-16(11-21(20)31-14-24(3,4)23(28)30)26-22(29)19-12-25-17-7-5-6-8-18(17)27-19/h5-12,15H,13-14H2,1-4H3,(H,26,29)