Basic information
- CAS
72004-13-8- Standard SMILES
Cc1cc2[nH]c(=O)cc(CN3CCN(C)CC3)c(=O)c2cc1C- InChIKey
SJYVHRXXCUSDJN-UHFFFAOYSA-N- Molecular formula
- C18H23N3O2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.17902698
Names & identifiers
- Preferred name
- 1H-1-Benzazepine, 2,5-dihydro-7,8-dimethyl-2,5-dioxo-4-(4-methyl-1-piperazinomethyl)-
- IUPAC
- 7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-1-benzazepine-2,5-dione
- English name
- 2,5-Dihydro-7,8-dimethyl-4-[(4-methylpiperazino)methyl]-2,5-dioxo-1H-1-benzazepine
- Molecular weight
- 0
Names & synonyms
BRN 06231091H-1-Benzazepine, 2,5-dihydro-7,8-dimethyl-2,5-dioxo-4-(4-methyl-1-piperazinomethyl)-72004-13-8DTXSID502222905-23-03-00125 (Beilstein Handbook Reference)4-(Methyl-1-piperazinomethyl)-2,5-dihydro-7,8-dimethyl-2,5-dioxobenz(f)azepineRefChem:237238DTXCID501447817,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-1-benzazepine-2,5-dione2,5-Dihydro-7,8-dimethyl-4-[(4-methylpiperazino)methyl]-2,5-dioxo-1H-1-benzazepine
Database identifiers
- CAS
72004-13-8- PubChem CID
- 51476
- DTXSID
DTXSID50222290- Nikkaji
- J149.228D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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