Mls002694600
Basic information
- CAS
4053-46-7- Standard SMILES
N#CC1c2ccccc2C=CN1C(=O)N(c1ccccc1)c1ccccc1- InChIKey
HDBNACUXCQVKEU-UHFFFAOYSA-N- Molecular formula
- C23H17N3O
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.13716217
Names & identifiers
- Preferred name
- Mls002694600
- IUPAC
- 1-cyano-N,N-diphenyl-1H-isoquinoline-2-carboxamide
- English name
- 1-Cyano-1,2-dihydro-N,N-diphenyl-2-isoquinolinecarboxamide
- Molecular weight
- 0
Names & synonyms
MLS0026946004053-46-7DTXSID50292731RefChem:357200DTXCID802438722(1H)-Isoquinolinecarboxamide, 1-cyano-N,N-diphenyl-NSC851781-Cyano-1,2-dihydro-N,N-diphenyl-2-isoquinolinecarboxamideNCIOpen2_0094931-cyano-N,N-diphenylisoquinoline-2(1H)-carboxamideCHEMBL1727991HDBNACUXCQVKEU-UHFFFAOYSA-N
Show more names
HMS3083P14NSC-85178SMR0015605252(1H)-Isoquinolinecarboxamide,N-diphenyl-1-Cyano-N,N-diphenyl-2(1H)-isoquinolinecarboxamide #
Database identifiers
- CAS
4053-46-7- PubChem CID
- 257243
- DTXSID
DTXSID50292731- ChEMBL
CHEMBL1727991- Nikkaji
- J145.891D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…