VCN

~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide

Created: 2021-05-05
Last modified:  2022-11-02

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count40
Aromatic Bond Count12
2D diagram of VCN

Chemical Component Summary

Name~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide
Systematic Name (OpenEye OEToolkits)~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide
FormulaC18 H17 N O2
Molecular Weight279.333
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCN(CC)C(=O)c1cccc2C(=O)c3ccccc3c12
SMILESOpenEye OEToolkits2.0.7CCN(CC)C(=O)c1cccc2c1-c3ccccc3C2=O
Canonical SMILESCACTVS3.385 CCN(CC)C(=O)c1cccc2C(=O)c3ccccc3c12
Canonical SMILESOpenEye OEToolkits2.0.7 CCN(CC)C(=O)c1cccc2c1-c3ccccc3C2=O
InChIInChI1.03 InChI=1S/C18H17NO2/c1-3-19(4-2)18(21)15-11-7-10-14-16(15)12-8-5-6-9-13(12)17(14)20/h5-11H,3-4H2,1-2H3
InChIKeyInChI1.03 ABJOLLLERVOCAY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2801781
ChEMBL CHEMBL1486504