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NQ1

Summary
Name:10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
Formula:C20 H15 F N2 O
Formal charge:0
Formula weight:318.344 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.0110-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
OpenEye OEToolkits2.0.73-fluoranyl-5-(phenylmethyl)-11~{H}-benzo[b][1,4]benzodiazepin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O
InChIInChI1.03InChI=1S/C20H15FN2O/c21-15-10-11-18-19(12-15)23(13-14-6-2-1-3-7-14)20(24)16-8-4-5-9-17(16)22-18/h1-12,22H,13H2
InChIKeyInChI1.03NKFCUHMOEKHJLB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc2Nc3ccccc3C(=O)N(Cc4ccccc4)c2c1
SMILESCACTVS3.385Fc1ccc2Nc3ccccc3C(=O)N(Cc4ccccc4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F

223532

PDB entries from 2024-08-07

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