O5V

2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide

Created:2019-06-12
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count62
Aromatic Bond Count12
2D diagram of O5V

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Chemical Component Summary

Name2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide
Systematic Name (OpenEye OEToolkits)2-[4-bromanyl-2-[(3-phenyl-2,5-dihydropyrrol-1-yl)carbonyl]phenoxy]-~{N}-(1-propanoylazetidin-3-yl)ethanamide
FormulaC25 H26 Br N3 O4
Molecular Weight512.396
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2C(N4CC=C(c3ccccc3)C4)=O
SMILESCACTVS3.385CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2C(=O)N3CC=C(C3)c4ccccc4
SMILESOpenEye OEToolkits2.0.7CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br
Canonical SMILESCACTVS3.385 CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2C(=O)N3CC=C(C3)c4ccccc4
Canonical SMILESOpenEye OEToolkits2.0.7 CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br
InChIInChI1.03 InChI=1S/C25H26BrN3O4/c1-2-24(31)29-14-20(15-29)27-23(30)16-33-22-9-8-19(26)12-21(22)25(32)28-11-10-18(13-28)17-6-4-3-5-7-17/h3-10,12,20H,2,11,13-16H2,1H3,(H,27,30)
InChIKeyInChI1.03 BREYPSKQQKWWJF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 145946103