9-tert-butyl-2-(2-phenylethynyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

Systemtic Name: 9-tert-butyl-2-(2-phenylethynyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one Openeye Name: 9-tert-butyl-2-(2-phenylethynyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one CAS Name: 9-tert-butyl-2-(2-phenylethynyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one IUPAC Name: 9-tert-butyl-2-(2-phenylethynyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one Traditional Name: 9-tert-butyl-2-(2-phenylethynyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one Formula: C28H24N2O MolecularWeight: 404.50296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC3=C2CC(=O)NC4=C3C=C(C=C4)C#CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC3=C2CC(=O)NC4=C3C=C(C=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C28H24N2O/c1-28(2,3)20-12-14-24-21(16-20)22-17-26(31)29-25-13-11-19(15-23(25)27(22)30-24)10-9-18-7-5-4-6-8-18/h4-8,11-16,30H,17H2,1-3H3,(H,29,31)