Basic information
- Standard SMILES
O=C1C2CCCC2=Nc2ccccc2N1CCc1ccccc1- InChIKey
QMDGNXMJVUSWQJ-UHFFFAOYSA-N- Molecular formula
- C20H20N2O
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.15756327
Names & identifiers
- Preferred name
- 9-(2-Phenylethyl)-2,3,9,10a-tetrahydrobenzo[b]-cyclopenta[e][1,4]diazepin-10(1H)-one
- IUPAC
- 5-(2-phenylethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one
Names & synonyms
SCHEMBL7499808QMDGNXMJVUSWQJ-UHFFFAOYSA-N9-(2-Phenylethyl)-2,3,9,10a-tetrahydrobenzo[b]-cyclopenta[e][1,4]diazepin-10(1H)-one
Database identifiers
- PubChem CID
- 18940574
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Related reactions
2 records
Compound notes
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