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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1 entries where O57 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	18

2D diagram of O57

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Chemical Component Summary
Name	10-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
Formula	C₂₀ H₁₅ F N₂ O
Molecular Weight	318.344
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccc(cc1)CN4C(c2cc(ccc2Nc3ccccc34)F)=O
SMILES	CACTVS	3.385	Fc1ccc2Nc3ccccc3N(Cc4ccccc4)C(=O)c2c1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F
Canonical SMILES	CACTVS	3.385	Fc1ccc2Nc3ccccc3N(Cc4ccccc4)C(=O)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F
InChI	InChI	1.03	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
InChIKey	InChI	1.03	KPJCQYLIQBFEHH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145946101

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