Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-
Basic information
- CAS
27158-78-7- Standard SMILES
O=C1CN=C(c2ccccc2)c2cc(Cl)cc3c2N1CC3- InChIKey
INSDICJWUIJIIV-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O
- Average molar mass
- 296.7 g/mol
- Monoisotopic mass
- 296.0716407
Names & identifiers
- Preferred name
- Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-
- IUPAC
- 6-chloro-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
- English name
- 9-Chloro-6,7-dihydro-1-phenylpyrrolo[3,2,1-jk][1,4]benzodiazepin-4(3H)-one
- Molecular formula
- C17H13ClN2O
- Molecular weight
- 296.75
Names & synonyms
Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-one, 6,7-dihydro-9-chloro-1-phenyl-27158-78-7BRN 07592819-chloro-1-phenyl-6,7-dihydro[1,4]diazepino[6,7,1-hi]indol-4(3h)-one9-Chloro-6,7-dihydro-1-phenylpyrrolo(3,2,1-jk)(1,4)benzodiazepin-4(3H)-oneDTXSID801816249-Chloro-6,7-dihydro-1-phenylpyrrolo[3,2,1-jk][1,4]benzodiazepin-4(3H)-onePyrrolo[3,2,1-jk][1,4]benzodiazepin-4(3H)-one, 9-chloro-6,7-dihydro-1-phenyl-
Database identifiers
- CAS
27158-78-7- PubChem CID
- 213862
- DTXSID
DTXSID80181624- Nikkaji
- J72.920E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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