EZW

5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate

Created:2018-05-16
Last modified:  2018-12-05

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count0
Bond Count55
Aromatic Bond Count27
2D diagram of EZW

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Chemical Component Summary

Name5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate
FormulaC27 H18 N2 O3
Molecular Weight418.443
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56
SMILESOpenEye OEToolkits2.0.6CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6
Canonical SMILESCACTVS3.385 CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56
Canonical SMILESOpenEye OEToolkits2.0.6 CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6
InChIInChI1.03 InChI=1S/C27H18N2O3/c1-17(30)31-27-23-12-6-14-29(23)24-15-18-7-2-3-8-19(18)16-25(24)32-26(27)21-9-4-11-22-20(21)10-5-13-28-22/h2-16H,1H3
InChIKeyInChI1.03 HVSMPYIXZQQOJE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 135121370