Basic information
- Standard SMILES
COc1cc2c(cc1-c1ccco1)C(c1cccc(C#N)c1)=NCC(=O)N2C- InChIKey
GGOCIGOWLQUVEH-UHFFFAOYSA-N- Molecular formula
- C22H17N3O3
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- 3-(7-Furan-2-yl-8-methoxy-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl)-benzonitrile
- IUPAC
- 3-[7-(furan-2-yl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile
Names & synonyms
SCHEMBL5042460GGOCIGOWLQUVEH-UHFFFAOYSA-N3-(7-Furan-2-yl-8-methoxy-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl)-benzonitrile
Database identifiers
- PubChem CID
- 11222492
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 669
Related reactions
2 records
Compound notes
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