NQF

(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide


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Chemical Component Summary

Name(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
Identifiers(~{E})-3-[(7~{R})-7-azanyl-8-oxidanylidene-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl]-~{N}-methyl-~{N}-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
FormulaC23 H24 N4 O3
Molecular Weight404.462
TypeNON-POLYMER
Isomeric SMILESCc1c2ccccc2oc1CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)[C@@H](CC4)N
InChIInChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m1/s1
InChIKeyZWQNEFFHBSGFHV-RUJXFNLJSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count1
Bond Count57
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 164917757