4OQ

2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine


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Chemical Component Summary

Name2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine
Identifiers8-chloranyl-11-ethyl-3-fluoranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine
FormulaC20 H22 Cl F N4
Molecular Weight372.867
TypeNON-POLYMER
Isomeric SMILESCCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl
InChIInChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyNQBRFDSRSGHBBK-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count51
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 91808045
ChEMBL CHEMBL3609330