Basic information
- CAS
66392-97-0- Standard SMILES
COc1ccc2c(c1OC)C(=C(C#N)C#N)N1CCc3cc4c(cc3C1=C2)OCO4- InChIKey
TZCCHASACJWVTE-UHFFFAOYSA-N- Molecular formula
- C23H17N3O4
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.12190603
Names & identifiers
- Preferred name
- 2-(16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-ylidene)propanedinitrile
- IUPAC
- 2-(16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-ylidene)propanedinitrile
Names & synonyms
NSC30547466392-97-0DTXSID20316650NSC-305474(9,10-Dimethoxy-5,6-dihydro-2H,8H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-ylidene)propanedinitrile
Database identifiers
- CAS
66392-97-0- PubChem CID
- 328047
- DTXSID
DTXSID20316650
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 846
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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