Basic information
- CAS
118989-85-8- Standard SMILES
CC1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
ZZOCDNHMKHVHOW-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-(4-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);2-(3-methyl-4-phenylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
Names & synonyms
118989-85-8Acetamide, 2-(4-methyl-1-piperazinyl)-N-(4-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2)RefChem:10752191-Piperazineacetamide, 4-methyl-N-(4-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2)N-(4-Nitrophenyl)-N-phenyl-2-(4-methyl-1-piperazinyl)acetamide dimaleate
Database identifiers
- CAS
118989-85-8- PubChem CID
- 6450752
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
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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