Basic information
- CAS
118989-84-7- Standard SMILES
CC1CN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1c1ccccc1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
PQDJJSMBBZSAOI-LVEZLNDCSA-N- Molecular formula
- C27H30N4O11
- Average molar mass
- 586.5 g/mol
- Monoisotopic mass
- 586.19110779
Names & identifiers
- Preferred name
- Acetamide, 2-(4-methyl-1-piperazinyl)-N-(3-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);2-(3-methyl-4-phenylpiperazin-1-yl)-N-(3-nitrophenyl)acetamide
Names & synonyms
118989-84-7Acetamide, 2-(4-methyl-1-piperazinyl)-N-(3-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2)RefChem:10752181-Piperazineacetamide, 4-methyl-N-(3-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2)N-(3-Nitrophenyl)-N-phenyl-2-(4-methyl-1-piperazinyl)acetamide dimaleate
Database identifiers
- CAS
118989-84-7- PubChem CID
- 6450751
Properties
Computed structural properties
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…