tert-butyl (2R)-2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylate

Systemtic Name: tert-butyl (2R)-2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylate Openeye Name: tert-butyl (2R)-2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylate CAS Name: (2R)-2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylate Traditional Name: (2R)-2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid tert-butyl ester Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-20(2,3)24-19(23)22-14-13-16(15-9-5-4-6-10-15)21-17-11-7-8-12-18(17)22/h4-12,16,21H,13-14H2,1-3H3/t16-/m1/s1