8-Chloro-5,6-dihydro-4-oxo-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxaldehyde

HCID 12377891
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Basic information

Standard SMILES
O=Cc1cc2n(n1)-c1ccc(Cl)cc1C(c1ccccc1)NC2=O
InChIKey
UMGQLEZYKARTAW-UHFFFAOYSA-N
Molecular formula
C18H12ClN3O2
Average molar mass
337.8 g/mol

Names & identifiers

Preferred name
8-Chloro-5,6-dihydro-4-oxo-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxaldehyde
IUPAC
8-chloro-4-oxo-6-phenyl-5,6-dihydropyrazolo[1,5-a][1,4]benzodiazepine-2-carbaldehyde

Names & synonyms

SCHEMBL11524580UMGQLEZYKARTAW-UHFFFAOYSA-N8-Chloro-5,6-dihydro-4-oxo-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxaldehyde

Database identifiers

PubChem CID
12377891

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
64 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
24

Related reactions

8 records
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Linked notes

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