(+-)-4,5,6,7-Tetrahydro-5-methyl-2-oxo-6-propylimidazo(4,5,1-jk)(1,4)benzodiazepine-1(2H)-acetonitrile
Basic information
- CAS
136723-05-2- Standard SMILES
CCCN1Cc2cccc3c2n(c(=O)n3CC#N)CC1C- InChIKey
FAOJYYOIQSZWMA-UHFFFAOYSA-N- Molecular formula
- C16H20N4O
- Average molar mass
- 284.36 g/mol
- Monoisotopic mass
- 284.16371127
Names & identifiers
- Preferred name
- (+-)-4,5,6,7-Tetrahydro-5-methyl-2-oxo-6-propylimidazo(4,5,1-jk)(1,4)benzodiazepine-1(2H)-acetonitrile
- IUPAC
- 2-(11-methyl-2-oxo-10-propyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-yl)acetonitrile
Names & synonyms
136723-05-2(+-)-4,5,6,7-Tetrahydro-5-methyl-2-oxo-6-propylimidazo(4,5,1-jk)(1,4)benzodiazepine-1(2H)-acetonitrileImidazo(4,5,1-jk)(1,4)benzodiazepine-1(2H)-acetonitrile, 4,5,6,7-tetrahydro-5-methyl-2-oxo-6-propyl-(+-)-4,5,6,7-Tetrahydro-5-methyl-2-oxo-6-propylimidazo[4,5,1-jk][1,4]benzodiazepine-1(2H)-acetonitrileImidazo[4,5,1-jk][1,4]benzodiazepine-1(2H)-acetonitrile, 4,5,6,7-tetrahydro-5-methyl-2-oxo-6-propyl-CHEMBL111177DTXSID409295292-(methyl-oxo-propyl-[?]yl)acetonitrile(5-Methyl-2-oxo-6-propyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-1(2H)-yl)acetonitrile
Database identifiers
- CAS
136723-05-2- PubChem CID
- 453606
- DTXSID
DTXSID40929529- ChEMBL
CHEMBL111177- Nikkaji
- J449.413J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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