Basic information
- Standard SMILES
N#Cc1cccc(C2=Nc3ccc(-n4cc(C#N)c(-c5ccccc5)c4)cc3NC(=O)C2)c1- InChIKey
VQGBMMKZALZKMQ-UHFFFAOYSA-N- Molecular formula
- C27H17N5O
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- 1-[2-(3-Cyano-phenyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-7-yl]-4-phenyl-1H-pyrrole-3-carbonitrile
- IUPAC
- 1-[4-(3-cyanophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]-4-phenylpyrrole-3-carbonitrile
Names & synonyms
SCHEMBL6433155VQGBMMKZALZKMQ-UHFFFAOYSA-N1-[2-(3-Cyano-phenyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-7-yl]-4-phenyl-1H-pyrrole-3-carbonitrile
Database identifiers
- PubChem CID
- 18548867
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 858
Related reactions
2 records
Compound notes
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