tert-butyl 7-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 7-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 7-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 7-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NCCN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NCCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H22N2O2/c1-11-5-6-13-12(9-11)10-17(8-7-16-13)14(18)19-15(2,3)4/h5-6,9,16H,7-8,10H2,1-4H3