Basic information
- Standard SMILES
N#Cc1ccc(COC(=O)Nc2cccc3cnccc23)cc1- InChIKey
MPFJJTIKVRCJFQ-UHFFFAOYSA-N- Molecular formula
- C18H13N3O2
- Average molar mass
- 303.3 g/mol
Names & identifiers
- Preferred name
- 4-cyanobenzyl Isoquinolin-5-ylcarbamate
- IUPAC
- (4-cyanophenyl)methyl N-isoquinolin-5-ylcarbamate
Names & synonyms
SCHEMBL4019890MPFJJTIKVRCJFQ-UHFFFAOYSA-N4-cyanobenzyl Isoquinolin-5-ylcarbamate
Database identifiers
- PubChem CID
- 9972224
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
6 records
Compound notes
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