9SU

2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one

Created:2018-07-19
Last modified:  2019-04-03

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count53
Aromatic Bond Count6
2D diagram of 9SU

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Chemical Component Summary

Name2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Systematic Name (OpenEye OEToolkits)2-(4-chloranylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3~{H}-quinazolin-4-one
FormulaC20 H23 Cl N4 O
Molecular Weight370.876
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C15(CNc2c1c(ccc2)Cl)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5
SMILESCACTVS3.385Clc1cccc2NCC3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)c12
SMILESOpenEye OEToolkits2.0.6c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2
Canonical SMILESCACTVS3.385 Clc1cccc2NCC3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)c12
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2
InChIInChI1.03 InChI=1S/C20H23ClN4O/c21-14-5-3-7-16-17(14)20(12-22-16)8-10-25(11-9-20)19-23-15-6-2-1-4-13(15)18(26)24-19/h3,5,7,22H,1-2,4,6,8-12H2,(H,23,24,26)
InChIKeyInChI1.03 VYNMMNYWFMDPRI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 138594369