Basic information
- Standard SMILES
CC(C)(C)c1ccc2c(=O)n(-c3cccc(-n4cc(C#N)c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)c3C=O)ncc2c1- InChIKey
SMSFAFKYHNESEV-UHFFFAOYSA-N- Molecular formula
- C34H31N7O4
- Average molar mass
- 601.7 g/mol
- Monoisotopic mass
- 601.2437525
Names & identifiers
- Preferred name
- 1-(3-(6-tert-Butyl-1-oxophthalazin-2(1H)-yl)-2-formylphenyl)-3-[4-(morpholine-4-carbonyl)phenylamino]pyrazole-4-carbonitrile
- IUPAC
- 1-[3-(6-tert-butyl-1-oxophthalazin-2-yl)-2-formylphenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazole-4-carbonitrile
Names & synonyms
SCHEMBL13835007SMSFAFKYHNESEV-UHFFFAOYSA-N1-(3-(6-tert-butyl-1-oxophthalazin-2(1H)-yl)-2-formylphenyl)-3-[4-(morpholine-4-carbonyl)phenylamino]-1H-pyrazole-4-carbonitrile1-(3-(6-tert-Butyl-1-oxophthalazin-2(1H)-yl)-2-formylphenyl)-3-[4-(morpholine-4-carbonyl)phenylamino]pyrazole-4-carbonitrile
Database identifiers
- PubChem CID
- 86673705
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
2 records
Compound notes
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