O57

10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

Created:2019-06-11
Last modified:  2019-12-18

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count42
Aromatic Bond Count18
2D diagram of O57

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Chemical Component Summary

Name10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
Systematic Name (OpenEye OEToolkits)8-fluoranyl-5-(phenylmethyl)-11~{H}-benzo[b][1,4]benzodiazepin-6-one
FormulaC20 H15 F N2 O
Molecular Weight318.344
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccc(cc1)CN4C(c2cc(ccc2Nc3ccccc34)F)=O
SMILESCACTVS3.385Fc1ccc2Nc3ccccc3N(Cc4ccccc4)C(=O)c2c1
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F
Canonical SMILESCACTVS3.385 Fc1ccc2Nc3ccccc3N(Cc4ccccc4)C(=O)c2c1
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F
InChIInChI1.03 InChI=1S/C20H15FN2O/c21-15-10-11-17-16(12-15)20(24)23(13-14-6-2-1-3-7-14)19-9-5-4-8-18(19)22-17/h1-12,22H,13H2
InChIKeyInChI1.03 KPJCQYLIQBFEHH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 145946101