Basic information
- CAS
488083-18-7- Standard SMILES
CC1C=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccc(F)cc3)C2(C)CN1C- InChIKey
MNEKLXLKKDRVIN-UHFFFAOYSA-N- Molecular formula
- C21H20FN5
- Average molar mass
- 361.4 g/mol
Names & identifiers
- Preferred name
- 6-amino-8-(4-fluorophenyl)-2,3,8a-trimethyl-3,8-dihydro-1H-isoquinoline-5,7,7-tricarbonitrile
- IUPAC
- 6-amino-8-(4-fluorophenyl)-2,3,8a-trimethyl-3,8-dihydro-1H-isoquinoline-5,7,7-tricarbonitrile
- English name
- 6-amino-8-(4-fluorophenyl)-2,3,8a-trimethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
- Molecular formula
- C21H20FN5
- Molecular weight
- 361.4154032
Names & synonyms
6-amino-8-(4-fluorophenyl)-2,3,8a-trimethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrileAK-777/11500056STL322455AKOS0221022286-amino-8-(4-fluorophenyl)-2,3,8a-trimethyl-3,8-dihydro-1H-isoquinoline-5,7,7-tricarbonitrile6-amino-8-(4-fluorophenyl)-2,3,8a-trimethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Database identifiers
- CAS
488083-18-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 835
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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