tert-butyl 2-oxidanylidene-5-phenyl-1,5-benzodiazepine-1-carboxylate

Systemtic Name: tert-butyl 2-oxidanylidene-5-phenyl-1,5-benzodiazepine-1-carboxylate Openeye Name: tert-butyl 2-oxo-5-phenyl-1,5-benzodiazepine-1-carboxylate CAS Name: 2-oxo-5-phenyl-1,5-benzodiazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxo-5-phenyl-1,5-benzodiazepine-1-carboxylate Traditional Name: 2-keto-5-phenyl-1,5-benzodiazepine-1-carboxylic acid tert-butyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=O)C=CN(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)C=CN(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-20(2,3)25-19(24)22-17-12-8-7-11-16(17)21(14-13-18(22)23)15-9-5-4-6-10-15/h4-14H,1-3H3