VBH

N-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide

Created: 2021-05-04
Last modified:  2021-07-21

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count60
Aromatic Bond Count12
2D diagram of VBH
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Chemical Component Summary

NameN-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide
SynonymsN-(2,2-diphenylethyl)-1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-(2,2-diphenylethyl)-1,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide
FormulaC25 H27 N3 O3
Molecular Weight417.5
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)C3=CN(C)C(=O)C(=C3)C
SMILESOpenEye OEToolkits2.0.7CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC
Canonical SMILESCACTVS3.385 CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)C3=CN(C)C(=O)C(=C3)C
Canonical SMILESOpenEye OEToolkits2.0.7 CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC
InChIInChI1.03 InChI=1S/C25H27N3O3/c1-18-14-21(15-27(3)24(18)30)25(31)28(17-23(29)26-2)16-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,16-17H2,1-3H3,(H,26,29)
InChIKeyInChI1.03 YSBWPORVNMMWTB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 156009105