tert-butyl 2-cyano-5-[5-ethyl-5-(furan-2-yl)-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-[5-ethyl-5-(furan-2-yl)-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-[5-ethyl-5-(2-furyl)-2-oxo-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate CAS Name: 2-cyano-5-[5-ethyl-5-(2-furanyl)-2-oxo-1H-4,1-benzoxazepin-7-yl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-[5-ethyl-5-(furan-2-yl)-2-oxo-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate Traditional Name: 2-cyano-5-[5-ethyl-5-(2-furyl)-2-keto-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)NC(=O)CO1)C4=CC=CO4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)NC(=O)CO1)C4=CC=CO4

InChI

InChI=1S/C25H25N3O5/c1-5-25(21-7-6-12-31-21)18-13-16(8-10-19(18)27-22(29)15-32-25)20-11-9-17(14-26)28(20)23(30)33-24(2,3)4/h6-13H,5,15H2,1-4H3,(H,27,29)