CAS Registry Number: 345264-15-5
 Name:

Tert-butyl 3,4-dihydro-[1,4]diazepino[6,7,1-hi]indole-2(1H)-carboxylate

Pyrrolo[3,​2,​1-​jk]​[1,​4]​benzodiazepine-​2(1H)​-​carboxylic acid, 3,​4-​dihydro-​, 1,​1-​dimethylethyl ester

Chemical Formula: C16H20N2O2
Exact Mass: 272.15
Molecular Weight: 272.34
m/z: 272.15 (100.0%), 273.16 (17.6%), 274.16 (1.9%)

InChI
InChI=1S/C16H20N2O2/c1-16(2,3)20-15(19)18-10-9-17-8-7-12-5-4-6-13(11-18)14(12)17/h4-8H,9-11H2,1-3H3
InChI Key
RIHZGAGJTRQKPW-UHFFFAOYSA-N
Canonical SMILES
CC(C)(C)OC(=O)N1CCN2C=CC3=C2C(=CC=C3)C1

Specification

98%

Journal of Medicinal Chemistry (2013), 56(12), 5115-5129

PCT Int. Appl. (2009), WO 2009026446 A2 20090226