tert-butyl 6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: tert-butyl 6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: tert-butyl 6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester Formula: C27H29N3O2Si MolecularWeight: 455.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C[Si](C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C[Si](C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2Si/c1-27(2,3)32-26(31)25-23-17-28-24(20-10-8-7-9-11-20)21-16-19(14-15-33(4,5)6)12-13-22(21)30(23)18-29-25/h7-13,16,18H,17H2,1-6H3