Basic information
- Standard SMILES
NCc1ccc(N2C(=O)CC(=O)Nc3c2ccc2ccccc32)cc1- InChIKey
MRHAPYSTFRAVHI-UHFFFAOYSA-N- Molecular formula
- C20H17N3O2
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.13207679
Names & identifiers
- Preferred name
- 5-[4-(aminomethyl)phenyl]-1H-naphtho[2,1-b][1,4]diazepine-2,4(3H,5H)-dione
- IUPAC
- 5-[4-(aminomethyl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
Names & synonyms
SCHEMBL16239177MRHAPYSTFRAVHI-UHFFFAOYSA-N5-[4-(aminomethyl)phenyl]-1H-naphtho[2,1-b][1,4]diazepine-2,4(3H,5H)-dione
Database identifiers
- PubChem CID
- 117699239
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Related reactions
2 records
Compound notes
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