Basic information
- Standard SMILES
COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1Cl- InChIKey
CJALBDABJVVHEX-UHFFFAOYSA-N- Molecular formula
- C26H26ClN3O3
- Average molar mass
- 464 g/mol
Names & identifiers
- Preferred name
- 3-chloro-4-methoxy-N-[3-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-ylcarbamoyl)-benzyl]-benzamide
- IUPAC
- 3-chloro-4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide
Names & synonyms
SCHEMBL308003CJALBDABJVVHEX-UHFFFAOYSA-N3-chloro-4-methoxy-N-[3-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-ylcarbamoyl)-benzyl]-benzamide
Database identifiers
- PubChem CID
- 59190857
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 677
Related reactions
2 records
Linked notes
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