tert-butyl 1H-1,4-diazepine-7-carboxylate

Systemtic Name: tert-butyl 1H-1,4-diazepine-7-carboxylate Openeye Name: tert-butyl 1H-1,4-diazepine-7-carboxylate CAS Name: 1H-1,4-diazepine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1H-1,4-diazepine-7-carboxylate Traditional Name: 1H-1,4-diazepine-7-carboxylic acid tert-butyl ester Formula: C10H14N2O2 MolecularWeight: 194.23036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=NC=CN1

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=NC=CN1

InChI

InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)8-4-5-11-6-7-12-8/h4-7,12H,1-3H3