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Basic information
- CAS
1061-20-7- Standard SMILES
O=C(O)/C=C\C(=O)O.O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CCN1CCCCC1- InChIKey
ORGASLDGMIWPHX-BTJKTKAUSA-N- Molecular formula
- C26H28ClN3O5
- Average molar mass
- 497.979 g/mol
- Monoisotopic mass
- 497.17174868
Names & identifiers
- Preferred name
- (Z)-but-2-enedioic acid;7-chloro-5-phenyl-1-(2-piperidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
- English name
- but-2-enedioic acid: 9-chloro-6-phenyl-2-[2-(1-piperidyl)ethyl]-2,5-di azabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
- Molecular formula
- C26H28ClN3O5
- Molecular weight
- 497.97
Names & synonyms
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-1-(2-piperidinoethyl)-, maleate (1:1)but-2-enedioic acid: 9-chloro-6-phenyl-2-[2-(1-piperidyl)ethyl]-2,5-di azabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
Database identifiers
- CAS
1061-20-7- PubChem CID
- 6433232
- DTXSID
DTXSID501381436
Properties
Physicochemical properties
- Melting point
- 172 · 172-173 °C
Related reactions
0 records
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Compound notes
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