tert-butyl 8-azanyl-1,4-benzodiazepine-1-carboxylate

Systemtic Name: tert-butyl 8-azanyl-1,4-benzodiazepine-1-carboxylate Openeye Name: tert-butyl 8-amino-1,4-benzodiazepine-1-carboxylate CAS Name: 8-amino-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-amino-1,4-benzodiazepine-1-carboxylate Traditional Name: 8-amino-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CN=CC2=C1C=C(C=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CN=CC2=C1C=C(C=C2)N

InChI

InChI=1S/C14H17N3O2/c1-14(2,3)19-13(18)17-7-6-16-9-10-4-5-11(15)8-12(10)17/h4-9H,15H2,1-3H3