Basic information
- Standard SMILES
N#Cc1ccc(Oc2ccc3c(c2)CCC(C2CCC2)NC3)nc1- InChIKey
ULOLLHBPAOKVDA-UHFFFAOYSA-N- Molecular formula
- C20H21N3O
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 6-(3-Cyclobutyl-2,3,4,5-tetrahydro-1h-benzo[c]azepin-7-yloxy)-nicotinonitrile
- IUPAC
- 6-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)oxy]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL3333687ULOLLHBPAOKVDA-UHFFFAOYSA-N6-(3-cyclobutyl-2,3,4,5-tetrahydro-1h-benzo[c]azepin-7-yloxy)-nicotinonitrile
Database identifiers
- PubChem CID
- 68601023
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Related reactions
1 records
Compound notes
Loading…