tert-butyl 3-oxidanylidene-4-(2-oxidanyl-1-phenyl-ethyl)-2,5-dihydro-1,4-benzodiazepine-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-4-(2-oxidanyl-1-phenyl-ethyl)-2,5-dihydro-1,4-benzodiazepine-1-carboxylate Openeye Name: tert-butyl 4-(2-hydroxy-1-phenyl-ethyl)-3-oxo-2,5-dihydro-1,4-benzodiazepine-1-carboxylate CAS Name: 4-(2-hydroxy-1-phenylethyl)-3-oxo-2,5-dihydro-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-hydroxy-1-phenylethyl)-3-oxo-2,5-dihydro-1,4-benzodiazepine-1-carboxylate Traditional Name: 4-(2-hydroxy-1-phenyl-ethyl)-3-keto-2,5-dihydro-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(CC2=CC=CC=C21)C(CO)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(CC2=CC=CC=C21)C(CO)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4/c1-22(2,3)28-21(27)24-14-20(26)23(13-17-11-7-8-12-18(17)24)19(15-25)16-9-5-4-6-10-16/h4-12,19,25H,13-15H2,1-3H3