NZ8

1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea

Created:2020-01-13
Last modified:  2020-11-18

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count56
Aromatic Bond Count24
2D diagram of NZ8

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Chemical Component Summary

Name1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea
Systematic Name (OpenEye OEToolkits)1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea
FormulaC25 H15 Cl F3 N5 O3
Molecular Weight525.867
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc4Oc3c2)c5ccncc5)ccc1Cl
SMILESOpenEye OEToolkits2.0.7c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl
Canonical SMILESCACTVS3.385 FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc4Oc3c2)c5ccncc5)ccc1Cl
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl
InChIInChI1.03 InChI=1S/C25H15ClF3N5O3/c26-19-5-3-14(12-18(19)25(27,28)29)32-24(36)33-15-4-6-20-21(13-15)37-22-17(2-1-9-31-22)23(35)34(20)16-7-10-30-11-8-16/h1-13H,(H2,32,33,36)
InChIKeyInChI1.03 NQHGDUGVQSAKOR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 154815588