tert-butyl 2-cyano-5-(5-methyl-2-oxidanylidene-5-phenyl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-(5-methyl-2-oxidanylidene-5-phenyl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate CAS Name: 2-cyano-5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-(2-keto-5-methyl-5-phenyl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)NC(=O)CO1)C4=CC=CC=C4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)NC(=O)CO1)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4/c1-25(2,3)33-24(31)29-19(15-27)11-13-22(29)17-10-12-21-20(14-17)26(4,32-16-23(30)28-21)18-8-6-5-7-9-18/h5-14H,16H2,1-4H3,(H,28,30)