4-(9-(1-methyl-1H-imidazol-2-yl)-3-oxo-3,7,8,9-tetrahydro-2H-pyrido[4,3,2-de]phthalazin-8-yl)benzaldehyde
Basic information
- Standard SMILES
Cn1ccnc1C1c2n[nH]c(=O)c3cccc(c23)NC1c1ccc(C=O)cc1- InChIKey
CSGCDSAMZJNONR-UHFFFAOYSA-N- Molecular formula
- C21H17N5O2
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- 4-(9-(1-methyl-1H-imidazol-2-yl)-3-oxo-3,7,8,9-tetrahydro-2H-pyrido[4,3,2-de]phthalazin-8-yl)benzaldehyde
- IUPAC
- 4-[12-(1-methylimidazol-2-yl)-4-oxo-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-11-yl]benzaldehyde
Names & synonyms
SCHEMBL2053811CSGCDSAMZJNONR-UHFFFAOYSA-N4-(9-(1-methyl-1H-imidazol-2-yl)-3-oxo-3,7,8,9-tetrahydro-2H-pyrido[4,3,2-de]phthalazin-8-yl)benzaldehyde
Database identifiers
- PubChem CID
- 136368567
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 659
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Related reactions
11 records
Compound notes
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