9H3

1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one

Created:2018-04-27
Last modified:  2019-04-03

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count51
Aromatic Bond Count6
2D diagram of 9H3

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Chemical Component Summary

Name1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one
Systematic Name (OpenEye OEToolkits)1'-(4-oxidanylidene-5,6,7,8-tetrahydro-3~{H}-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one
FormulaC20 H21 N3 O3
Molecular Weight351.399
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C15(C(Oc2c1cccc2)=O)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5
SMILESCACTVS3.385O=C1NC(=NC2=C1CCCC2)N3CCC4(CC3)C(=O)Oc5ccccc45
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2
Canonical SMILESCACTVS3.385 O=C1NC(=NC2=C1CCCC2)N3CCC4(CC3)C(=O)Oc5ccccc45
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2
InChIInChI1.03 InChI=1S/C20H21N3O3/c24-17-13-5-1-3-7-15(13)21-19(22-17)23-11-9-20(10-12-23)14-6-2-4-8-16(14)26-18(20)25/h2,4,6,8H,1,3,5,7,9-12H2,(H,21,22,24)
InChIKeyInChI1.03 XGTNOTWEBRRAKO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 138594785