tert-butyl 1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC2=CC=CC=C2C1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC2=CC=CC=C2C1

InChI

InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-8-15-12-7-5-4-6-11(12)10-16/h4-7,15H,8-10H2,1-3H3